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2-chloro-2-methylcyclohexan-1-one

2-chloro-2-methylcyclohexan-1-one

CAS: 10409-46-8

Formula: C7H11ClO

SMILES: CC1(Cl)CCCCC1=O

IUPAC: 2-chloro-2-methylcyclohexan-1-one

InChI: InChI=1/C7H11ClO/c1-7(8)5-3-2-4-6(7)9/h2-5H2,1H3

Composition: C (57.35%), H (7.56%), Cl (24.18%), O (10.91%)

Molar Mass: 146.61

Atom Count: 20

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 146.0498427
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IDRWHLQDVSLCBJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.5
Topological Polar Surface Area 17.07
Polarizability 14.81
Ring Count 1
Rotatable Bond Count 0

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