1-(4-chlorophenyl)-4-oxocyclohexane-1-carbonitrile

1-(4-chlorophenyl)-4-oxocyclohexane-1-carbonitrile

CAS: 25115-75-7

Formula: C13H12ClNO

SMILES: ClC1=CC=C(C=C1)C1(CCC(=O)CC1)C#N

IUPAC: 1-(4-chlorophenyl)-4-oxocyclohexane-1-carbonitrile

InChI: InChI=1S/C13H12ClNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2

Composition: C (66.81%), H (5.18%), Cl (15.17%), N (5.99%), O (6.85%)

Molar Mass: 233.7

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.0607417
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CLNXKPRXMYQSOL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.87
Topological Polar Surface Area	40.86
Polarizability	24.27
Ring Count	2
Rotatable Bond Count	1

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