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3-Bromocyclohexene

CAT: 0024-sc-231547ASize: 50 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-231547ASize:50 mL
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CAS Number
1521-51-3

Chemical Information

3-Bromocyclohexene
CAS Number1521-51-3
PubChem CID137057
IUPAC Name3-bromocyclohexene
Molecular FormulaC6H9Br
Molecular Weight161.04
XLogP2.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity76
SMILES
C1CC=CC(C1)Br
InChI
InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKey
AJKDUJRRWLQXHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromocyclohexene
CAS: 1521-51-3
CID: 137057
Formula: C6H9Br
MW: 161.04
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.04
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass159.98876
Monoisotopic Mass159.98876
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity76.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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