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3-[(4-chlorophenyl)amino]cyclohex-2-en-1-one

3-[(4-chlorophenyl)amino]cyclohex-2-en-1-one

CAS: 36646-75-0

Formula: C12H12ClNO

SMILES: ClC1=CC=C(NC2=CC(=O)CCC2)C=C1

IUPAC: 3-[(4-chlorophenyl)amino]cyclohex-2-en-1-one

InChI: InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2

Composition: C (65.02%), H (5.46%), Cl (15.99%), N (6.32%), O (7.22%)

Molar Mass: 221.68

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.0607417
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RGPTVCHISMSLQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.18
Topological Polar Surface Area 29.1
Polarizability 23.47
Ring Count 2
Rotatable Bond Count 2

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