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1-Bromo-1-methylcyclohexane

CAT: 0926-AAA93177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA93177-01Size:100 mg
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CAS Number
931-77-1
MDL Number
MFCD21338541
Smiles
CC1 (CCCCC1) Br
Molecular Formula
C7H13Br
Molecular Weight
177.08 g/mol
Controlled
No

Chemical Information

1-Bromo-1-methylcyclohexane
CAS Number931-77-1
PubChem CID12502129
IUPAC Name1-bromo-1-methylcyclohexane
Molecular FormulaC7H13Br
Molecular Weight177.08
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CC1(CCCCC1)Br
InChI
InChI=1S/C7H13Br/c1-7(8)5-3-2-4-6-7/h2-6H2,1H3
InChIKey
VSGXTQWTJYAQHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-1-methylcyclohexane
CAS: 931-77-1
CID: 12502129
Formula: C7H13Br
MW: 177.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.08
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass176.02006
Monoisotopic Mass176.02006
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes