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(Bromomethyl) cycloheptane

CAT: 0127-OR1031825-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1031825-01Size:100 mg
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CAS Number
3814-32-2
Purity
98%
Smiles
BrCC1CCCCCC1

Chemical Information

(Bromomethyl)cycloheptane
CAS Number3814-32-2
PubChem CID23000753
IUPAC Namebromomethylcycloheptane
Molecular FormulaC8H15Br
Molecular Weight191.11
XLogP3.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity63
SMILES
C1CCCC(CC1)CBr
InChI
InChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey
ZPGBMJCYYSEZBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Bromomethyl)cycloheptane
CAS: 3814-32-2
CID: 23000753
Formula: C8H15Br
MW: 191.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.11
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass190.03571
Monoisotopic Mass190.03571
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity63
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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