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1- (3-bromophenyl) hexan-1-ol

CAT: 0127-OR1098486-05Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-OR1098486-05Size:10 g
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CAS Number
71434-16-7
MDL Number
MFCD16820775
Purity
97%
Smiles
C1 (cccc (c1) Br) C (CCCCC) O

Chemical Information

1-(3-Bromophenyl)hexan-1-ol
CAS Number71434-16-7
PubChem CID12734832
IUPAC Name1-(3-bromophenyl)hexan-1-ol
Molecular FormulaC12H17BrO
Molecular Weight257.17
XLogP4.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity149
SMILES
CCCCCC(C1=CC(=CC=C1)Br)O
InChI
InChI=1S/C12H17BrO/c1-2-3-4-8-12(14)10-6-5-7-11(13)9-10/h5-7,9,12,14H,2-4,8H2,1H3
InChIKey
KGLRJSZJNKSXLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromophenyl)hexan-1-ol
CAS: 71434-16-7
CID: 12734832
Formula: C12H17BrO
MW: 257.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.17
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass256.04628
Monoisotopic Mass256.04628
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity149
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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