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2-bromocyclohexan-1-one

2-bromocyclohexan-1-one

CAS: 822-85-5

Formula: C6H9BrO

SMILES: BrC1CCCCC1=O

IUPAC: 2-bromocyclohexan-1-one

InChI: InChI=1/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2

Composition: C (40.71%), H (5.12%), Br (45.13%), O (9.04%)

Molar Mass: 177.041

Atom Count: 17

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 175.983678
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KDXYEWRAWRZXFT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.77
Topological Polar Surface Area 17.07
Polarizability 13.95
Ring Count 1
Rotatable Bond Count 0

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