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2,4'-Difluorobenzhydrol

CAT: 0572-TRC-D445445-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D445445-25GSize:25 g
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CAS Number
153877-53-3
Synonyms
2-Fluoro-alpha-(4-fluorophenyl)-benzenemethanol;(2-Fluorophenyl)(4-fluorophenyl)methanol
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(c1ccc(F)cc1)c2ccccc2F
Molecular Formula
C13 H10 F2 O
Molecular Weight
220.215
InChI
InChI=1S/C13H10F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13,16H
Additionnal Information
IUPAC name: (2-fluorophenyl)-(4-fluorophenyl)methanol
Shipping Conditions
Room Temperature

Chemical Information

(2-Fluorophenyl)(4-fluorophenyl)methanol
CAS Number153877-53-3
PubChem CID23019083
IUPAC Name(2-fluorophenyl)-(4-fluorophenyl)methanol
Molecular FormulaC13H10F2O
Molecular Weight220.21
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)O)F
InChI
InChI=1S/C13H10F2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13,16H
InChIKey
WBWUCGGEUJGAIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Fluorophenyl)(4-fluorophenyl)methanol
CAS: 153877-53-3
CID: 23019083
Formula: C13H10F2O
MW: 220.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight220.21
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass220.06997126
Monoisotopic Mass220.06997126
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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