2-[benzenesulfonyl-(3-fluoro-2,4,6-trimethyl-phenyl)amino]acetic acid

Modify Date: 2025-08-25 10:44:05

2-[benzenesulfonyl-(3-fluoro-2,4,6-trimethyl-phenyl)amino]acetic acid Structure
2-[benzenesulfonyl-(3-fluoro-2,4,6-trimethyl-phenyl)amino]acetic acid structure
Common Name 2-[benzenesulfonyl-(3-fluoro-2,4,6-trimethyl-phenyl)amino]acetic acid
CAS Number 853-31-6 Molecular Weight 351.39300
Density 1.345g/cm3 Boiling Point 540.2ºC at 760 mmHg
Molecular Formula C17H18FNO4S Melting Point N/A
MSDS N/A Flash Point 280.5ºC

 Names

Name (6S)-2-(3-hydroxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol

 Chemical & Physical Properties

Density 1.345g/cm3
Boiling Point 540.2ºC at 760 mmHg
Molecular Formula C17H18FNO4S
Molecular Weight 351.39300
Flash Point 280.5ºC
Exact Mass 351.09400
PSA 83.06000
LogP 4.11160
Index of Refraction 1.597
InChIKey KVTJOZWVSGFTLG-UHFFFAOYSA-N
SMILES Cc1cc(C)c(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(C)c1F

 Precursor & DownStream

Precursor  2

DownStream  0

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