2-phenylmethanesulfonylbenzoic acid

2-phenylmethanesulfonylbenzoic acid

CAS: 13536-21-5

Formula: C14H12O4S

SMILES: OC(=O)C1=C(C=CC=C1)S(=O)(=O)CC1=CC=CC=C1

IUPAC: 2-phenylmethanesulfonylbenzoic acid

InChI: InChI=1S/C14H12O4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)

Composition: C (60.86%), H (4.38%), O (23.16%), S (11.60%)

Molar Mass: 276.31

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	276.04563004
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GMVRFXQEJYYRMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.85
Topological Polar Surface Area	71.44
Polarizability	28.24
Ring Count	2
Rotatable Bond Count	4

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