3-bromo-4-chlorobenzoic acid

3-bromo-4-chlorobenzoic acid

CAS: 42860-10-6

Formula: C7H4BrClO2

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

IUPAC: 3-bromo-4-chlorobenzoic acid

InChI: InChI=1S/C7H4BrClO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)

Composition: C (35.71%), H (1.71%), Br (33.94%), Cl (15.06%), O (13.59%)

Molar Mass: 235.46

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.90832
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NLEPZGNUPNMRGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.74
Topological Polar Surface Area	37.3
Polarizability	17.61
Ring Count	1
Rotatable Bond Count	1

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