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α- (3-Fluorophenyl) -2-methylbenzenemethanol

CAT: 0127-PC1021490-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1021490-01Size:250 mg
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CAS Number
38158-75-7
MDL Number
MFCD11097432
Purity
95%
Smiles
C (O) (c1cc (F) ccc1) c1c (C) cccc1

Chemical Information

alpha-(3-Fluorophenyl)-2-methylbenZenemethanol
CAS Number38158-75-7
PubChem CID49963699
IUPAC Name(3-fluorophenyl)-(2-methylphenyl)methanol
Molecular FormulaC14H13FO
Molecular Weight216.25
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity219
SMILES
CC1=CC=CC=C1C(C2=CC(=CC=C2)F)O
InChI
InChI=1S/C14H13FO/c1-10-5-2-3-8-13(10)14(16)11-6-4-7-12(15)9-11/h2-9,14,16H,1H3
InChIKey
CWKMEWVJVHXERO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-(3-Fluorophenyl)-2-methylbenZenemethanol
CAS: 38158-75-7
CID: 49963699
Formula: C14H13FO
MW: 216.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.25
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass216.095043196
Monoisotopic Mass216.095043196
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity219
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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