1-methylcyclohexane-1-carbonyl chloride

1-methylcyclohexane-1-carbonyl chloride

CAS: 2890-61-1

Formula: C8H13ClO

SMILES: CC1(CCCCC1)C(Cl)=O

IUPAC: 1-methylcyclohexane-1-carbonyl chloride

InChI: InChI=1S/C8H13ClO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3

Composition: C (59.82%), H (8.16%), Cl (22.07%), O (9.96%)

Molar Mass: 160.64

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	160.0654927
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	STPXIOFWKOIYHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.21
Topological Polar Surface Area	17.07
Polarizability	16.68
Ring Count	1
Rotatable Bond Count	1

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Kinentia Biosciences LLC

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