3-chlorobenzoic acid

3-chlorobenzoic acid

CAS: 535-80-8

Formula: C7H5ClO2

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

IUPAC: 3-chlorobenzoic acid

InChI: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

Composition: C (53.70%), H (3.22%), Cl (22.64%), O (20.44%)

Molar Mass: 156.57

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	3-cholro-benzoic acid; M-chlorobenzoic acid; acido m-clorobenzoico
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	155.9978071
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LULAYUGMBFYYEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.12
Topological Polar Surface Area	37.3
Polarizability	14.57
Ring Count	1
Rotatable Bond Count	1

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