Home Halogens 2-chloro-5-[(phenylamino)sulphonyl]benzoic acid

2-chloro-5-[(phenylamino)sulphonyl]benzoic acid

CAS No.:
68189-34-4
Catalog Number:
AG00FM33
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
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Product Description
Catalog Number:
AG00FM33
Chemical Name:
2-chloro-5-[(phenylamino)sulphonyl]benzoic acid
CAS Number:
68189-34-4
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
MDL Number:
MFCD00627217
IUPAC Name:
2-chloro-5-(phenylsulfamoyl)benzoic acid
InChI:
InChI=1S/C13H10ClNO4S/c14-12-7-6-10(8-11(12)13(16)17)20(18,19)15-9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
InChI Key:
BYKANEVMPOZIQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1
EC Number:
269-191-8
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.002g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.736g/mol
Monoisotopic Mass:
311.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties