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1- (Bromomethyl) -3,5-dimethylcyclohexane

CAT: 0926-SKC08016-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SKC08016-01Size:50 mg
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CAS Number
1517080-16-8
MDL Number
MFCD21776118
Smiles
CC1CC (CC (C1) CBr) C
Molecular Formula
C9H17Br
Molecular Weight
205.13 g/mol
Controlled
No

Chemical Information

1-(Bromomethyl)-3,5-dimethylcyclohexane
CAS Number1517080-16-8
PubChem CID66469252
IUPAC Name1-(bromomethyl)-3,5-dimethylcyclohexane
Molecular FormulaC9H17Br
Molecular Weight205.13
XLogP3.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity90
SMILES
CC1CC(CC(C1)CBr)C
InChI
InChI=1S/C9H17Br/c1-7-3-8(2)5-9(4-7)6-10/h7-9H,3-6H2,1-2H3
InChIKey
XCIZWQDVIMXDGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Bromomethyl)-3,5-dimethylcyclohexane
CAS: 1517080-16-8
CID: 66469252
Formula: C9H17Br
MW: 205.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.13
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass204.05136
Monoisotopic Mass204.05136
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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