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(2,5-difluorophenyl) (2-fluorophenyl) methanol

CAT: 0127-PC1010132-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010132-01Size:250 mg
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CAS Number
1282603-52-4
Purity
95%
Smiles
C (c1c (F) ccc (F) c1) (c1ccccc1F) O

Chemical Information

(2,5-Difluorophenyl)(2-fluorophenyl)methanol
CAS Number1282603-52-4
PubChem CID61100262
IUPAC Name(2,5-difluorophenyl)-(2-fluorophenyl)methanol
Molecular FormulaC13H9F3O
Molecular Weight238.20
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity249
SMILES
C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)F)F)O)F
InChI
InChI=1S/C13H9F3O/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,13,17H
InChIKey
ZISBBIABUKZXLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,5-Difluorophenyl)(2-fluorophenyl)methanol
CAS: 1282603-52-4
CID: 61100262
Formula: C13H9F3O
MW: 238.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight238.20
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass238.06054939
Monoisotopic Mass238.06054939
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity249
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