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(2,4-difluorophenyl) (phenyl) methanol

CAT: 0127-PC1013452-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1013452-01Size:250 mg
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CAS Number
182192-95-6
MDL Number
MFCD12786893
Purity
97%
Smiles
C1c (ccc (c1F) C (c1ccccc1) O) F

Chemical Information

(2,4-Difluorophenyl)(phenyl)methanol
CAS Number182192-95-6
PubChem CID61100554
IUPAC Name(2,4-difluorophenyl)-phenylmethanol
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
Complexity216
SMILES
C1=CC=C(C=C1)C(C2=C(C=C(C=C2)F)F)O
InChI
InChI=1S/C13H10F2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13,16H
InChIKey
CKKGFFNOERNCKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Difluorophenyl)(phenyl)methanol
CAS: 182192-95-6
CID: 61100554
Formula: C13H10F2O
MW: 220.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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
Complexity216
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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