2-(2-chloroacetamido)benzoic acid

2-(2-chloroacetamido)benzoic acid

CAS: 14422-49-2

Formula: C9H8ClNO3

SMILES: OC(=O)C1=CC=CC=C1NC(=O)CCl

IUPAC: 2-(2-chloroacetamido)benzoic acid

InChI: InChI=1S/C9H8ClNO3/c10-5-8(12)11-7-4-2-1-3-6(7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)

Composition: C (50.60%), H (3.77%), Cl (16.60%), N (6.56%), O (22.47%)

Molar Mass: 213.62

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.0192708
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OKAPEGBSNZHDIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.93
Topological Polar Surface Area	66.4
Polarizability	19.47
Ring Count	1
Rotatable Bond Count	3

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