4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile
![4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile Structure](https://image.chemsrc.com/caspic/168/207680-98-6.png)
4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile structure
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Common Name | 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 207680-98-6 | Molecular Weight | 257.26000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C15H12FNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C15H12FNO2 |
|---|---|
| Molecular Weight | 257.26000 |
| Exact Mass | 257.08500 |
| PSA | 64.25000 |
| LogP | 2.27138 |
| InChIKey | JOWBVIAXILQDHG-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(O)c2ccc(F)cc2)c(CO)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-[(4-fluorophe... CAS#:207680-98-6 |
| Literature: JUBILANT ORGANOSYS LTD. Patent: WO2004/20425 A1, 2004 ; Location in patent: Page 12 ; |
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4-[(4-fluorophe... CAS#:207680-98-6 |
| Literature: JUBILANT ORGANOSYS LIMITED Patent: WO2005/77927 A1, 2005 ; Location in patent: Page/Page column 8-9 ; |
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4-[(4-fluorophe... CAS#:207680-98-6 |
| Literature: ADORKEM TECHNOLOGY SPA Patent: WO2004/80988 A1, 2004 ; Location in patent: Page 18-19; 20-21; 13; 7 ; |
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Detail
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| Literature: H. Lundbeck A/S Patent: US6291689 B1, 2001 ; |
![4-[Bis(4-fluorophenyl)(hydroxy)methyl]-3-(hydroxymethyl)benzonitrile structure](https://image.chemsrc.com/caspic/173/762266-07-9.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:64169-67-1This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: Molecular formula of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is C15H12FNO2. |
| Q: What is the LogP of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: LogP of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is 2.27138. |
| Q: What is the polar surface area (PSA) of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: Polar surface area (PSA) of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is 64.25000. |
| Q: What are the upstream materials of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: Related upstream materials(CAS) of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile: 82104-74-3;7439-95-4;460-00-4;260371-16-2;142-82-5;352-13-6. |
| Q: What is the SMILES notation of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: SMILES notation of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is N#Cc1ccc(C(O)c2ccc(F)cc2)c(CO)c1. |
| Q: What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is JOWBVIAXILQDHG-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 207680-98-6? |
| A: Chinese name of 207680-98-6 is 207680-98-6. |
| Q: What is the English name of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: The English name of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile. |
| Q: What is the molecular weight of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: Molecular weight of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is 257.26000. |
| Q: What is the CAS number of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile? |
| A: CAS number of 4-[(4-fluorophenyl)-hydroxymethyl]-3-(hydroxymethyl)benzonitrile is 207680-98-6. |