METHYL 3-(2-CHLORO-6-NITROPHENOXY)-2-THIOPHENECARBOXYLATE
Modify Date: 2025-12-01 12:33:40
METHYL 3-(2-CHLORO-6-NITROPHENOXY)-2-THIOPHENECARBOXYLATE structure
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Common Name | METHYL 3-(2-CHLORO-6-NITROPHENOXY)-2-THIOPHENECARBOXYLATE | ||
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| CAS Number | 91041-19-9 | Molecular Weight | 313.71400 | |
| Density | 1.485g/cm3 | Boiling Point | 391.3ºC at 760mmHg | |
| Molecular Formula | C12H8ClNO5S | Melting Point | 112-114ºC | |
| MSDS | N/A | Flash Point | 190.5ºC | |
| Name | methyl 3-(2-chloro-6-nitrophenoxy)thiophene-2-carboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.485g/cm3 |
|---|---|
| Boiling Point | 391.3ºC at 760mmHg |
| Melting Point | 112-114ºC |
| Molecular Formula | C12H8ClNO5S |
| Molecular Weight | 313.71400 |
| Flash Point | 190.5ºC |
| Exact Mass | 312.98100 |
| PSA | 109.59000 |
| LogP | 4.41180 |
| Index of Refraction | 1.621 |
| InChIKey | TVRAOCOTRWEDTP-UHFFFAOYSA-N |
| SMILES | COC(=O)c1sccc1Oc1c(Cl)cccc1[N+](=O)[O-] |
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~57%
METHYL 3-(2-CHL... CAS#:91041-19-9 |
| Literature: Corral; Lissavetzky; Valdeolmillos Journal of Heterocyclic Chemistry, 1985 , vol. 22, # 5 p. 1349 - 1352 |
| Precursor 2 | |
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| DownStream 0 | |
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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