2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid

Modify Date: 2025-08-26 19:19:27

2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid structure	Common Name	2-[3-(4-chlorophenyl)-9-(4-ethoxy-3,5-dimethoxy-phenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-trien-4-yl]acetic acid
	CAS Number	126598-19-4	Molecular Weight	488.94400
	Density	1.47g/cm3	Boiling Point	710ºC at 760mmHg
	Molecular Formula	C₂₂H₂₁ClN₄O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	383.2ºC

Name	2-[6-(4-chlorophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

Density	1.47g/cm3
Boiling Point	710ºC at 760mmHg
Molecular Formula	C₂₂H₂₁ClN₄O₅S
Molecular Weight	488.94400
Flash Point	383.2ºC
Exact Mass	488.09200
PSA	133.36000
LogP	3.65140
Vapour Pressure	3.72E-21mmHg at 25°C
Index of Refraction	1.672
InChIKey	ZHDJFCHLVCLDRN-UHFFFAOYSA-N
SMILES	CCOc1c(OC)cc(-c2nnc3n2N=C(c2ccc(Cl)cc2)C(CC(=O)O)S3)cc1OC

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