N-(4-chloro-2-methylphenyl)-3-oxobutanamide

N-(4-chloro-2-methylphenyl)-3-oxobutanamide

CAS: 20139-55-3

Formula: C11H12ClNO2

SMILES: CC(=O)CC(=O)NC1=CC=C(Cl)C=C1C

IUPAC: N-(4-chloro-2-methylphenyl)-3-oxobutanamide

InChI: InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)

Composition: C (58.55%), H (5.36%), Cl (15.71%), N (6.21%), O (14.18%)

Molar Mass: 225.67

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.0556563
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ODFRAIZRJMUPCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.66
Topological Polar Surface Area	46.17
Polarizability	22.62
Ring Count	1
Rotatable Bond Count	3

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