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(6-Bromohexyl) benzene

CAT: 0024-sc-262812Size: 1 gDry Ice: NoHazardous: No
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CAS Number
27976-27-8

Chemical Information

(6-Bromohexyl)benzene
CAS Number27976-27-8
PubChem CID561788
IUPAC Name6-bromohexylbenzene
Molecular FormulaC12H17Br
Molecular Weight241.17
XLogP5.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity106
SMILES
C1=CC=C(C=C1)CCCCCCBr
InChI
InChI=1S/C12H17Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKey
RAOLIGFNQJMMKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (6-Bromohexyl)benzene
CAS: 27976-27-8
CID: 561788
Formula: C12H17Br
MW: 241.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.17
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass240.05136
Monoisotopic Mass240.05136
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity106
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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