2-bromo-5-(chlorosulfonyl)benzoic acid

2-bromo-5-(chlorosulfonyl)benzoic acid

CAS: 3285-31-2

Formula: C7H4BrClO4S

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

IUPAC: 2-bromo-5-(chlorosulfonyl)benzoic acid

InChI: InChI=1S/C7H4BrClO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

Composition: C (28.07%), H (1.35%), Br (26.68%), Cl (11.84%), O (21.37%), S (10.70%)

Molar Mass: 299.52

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.87022
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZZSQGLFOZUQDAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.13
Topological Polar Surface Area	71.44
Polarizability	21.96
Ring Count	1
Rotatable Bond Count	2

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