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144740-59-0

144740-59-0 | 3-Pyridinecarboxylic acid, 2-(aminosulfonyl)-6-(trifluoromethyl)-, methyl ester

CAS No: 144740-59-0 Catalog No: AG001K22 MDL No:

Product Description

Catalog Number:
AG001K22
Chemical Name:
3-Pyridinecarboxylic acid, 2-(aminosulfonyl)-6-(trifluoromethyl)-, methyl ester
CAS Number:
144740-59-0
Molecular Formula:
C8H7F3N2O4S
Molecular Weight:
284.2124
IUPAC Name:
methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)
InChI Key:
NMNFYPVABNEKPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F
EC Number:
421-220-7

Properties

Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.008g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.209g/mol
Monoisotopic Mass:
284.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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