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(Bromomethyl) cyclohexane

CAT: 0127-OR73227-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR73227-01Size:1 g
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CAS Number
2550-36-9
MDL Number
MFCD00001509
Purity
99%
Smiles
BrCC1CCCCC1

Chemical Information

Cyclohexane, (bromomethyl)-
CAS Number2550-36-9
PubChem CID137636
IUPAC Namebromomethylcyclohexane
Molecular FormulaC7H13Br
Molecular Weight177.08
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity55
SMILES
C1CCC(CC1)CBr
InChI
InChI=1S/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
UUWSLBWDFJMSFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexane, (bromomethyl)-
CAS: 2550-36-9
CID: 137636
Formula: C7H13Br
MW: 177.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.08
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass176.02006
Monoisotopic Mass176.02006
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity55.4
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

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