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4-chloro-2-(phenylsulfamoyl)benzoic acid

4-chloro-2-(phenylsulfamoyl)benzoic acid

CAS: 887587-31-7

Formula: C13H10ClNO4S

SMILES: OC(=O)C1=C(C=C(Cl)C=C1)S(=O)(=O)NC1=CC=CC=C1

IUPAC: 4-chloro-2-(phenylsulfamoyl)benzoic acid

InChI: InChI=1S/C13H10ClNO4S/c14-9-6-7-11(13(16)17)12(8-9)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)

Composition: C (50.09%), H (3.23%), Cl (11.37%), N (4.49%), O (20.53%), S (10.28%)

Molar Mass: 311.74

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.0019067
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OAKKLSXHYCYJBM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.95
Topological Polar Surface Area 83.47
Polarizability 29.46
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 887587-31-7 $2,464.00-$5,796.00$2,464.00$3,696.00$5,796.00
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