N-(4-chlorophenyl)-2-oxopropanamide

N-(4-chlorophenyl)-2-oxopropanamide

CAS: 52181-18-7

Formula: C9H8ClNO2

SMILES: CC(=O)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-2-oxopropanamide

InChI: InChI=1S/C9H8ClNO2/c1-6(12)9(13)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,11,13)

Composition: C (54.70%), H (4.08%), Cl (17.94%), N (7.09%), O (16.19%)

Molar Mass: 197.62

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.0243562
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NXVUOSCKVKOPDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.07
Topological Polar Surface Area	46.17
Polarizability	19.03
Ring Count	1
Rotatable Bond Count	2

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90%	<2 Days	52181-18-7		$51.35-$524.40$51.35$63.37$86.31$524.40