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1- (3-Fluorophenyl) cyclohexanol

CAT: 0127-PC903632-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC903632-01Size:250 mg
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CAS Number
1496-35-1
MDL Number
MFCD00218768
Purity
98%
Smiles
OC1(CCCCC1)c2cccc(F)c2

Chemical Information

1-(3-Fluorophenyl)cyclohexan-1-ol
CAS Number1496-35-1
PubChem CID2802229
IUPAC Name1-(3-fluorophenyl)cyclohexan-1-ol
Molecular FormulaC12H15FO
Molecular Weight194.24
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
C1CCC(CC1)(C2=CC(=CC=C2)F)O
InChI
InChI=1S/C12H15FO/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9,14H,1-3,7-8H2
InChIKey
PQSFDHKUPBPVLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Fluorophenyl)cyclohexan-1-ol
CAS: 1496-35-1
CID: 2802229
Formula: C12H15FO
MW: 194.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.24
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass194.110693260
Monoisotopic Mass194.110693260
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
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