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3,4-Difluorophenol

CAT: 0013-GTR19251126-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251126-02Size:1 g
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Description
3,4-Difluorophenol
CAS Number
2713-33-9
Purity
99.96% (May vary between batches)
Smiles
OC1=CC=C (F) C (F) =C1
Molecular Formula
C6H4F2O
Molecular Weight
130.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,4-Difluorophenol
CAS Number2713-33-9
PubChem CID75927
IUPAC Name3,4-difluorophenol
Molecular FormulaC6H4F2O
Molecular Weight130.09
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1O)F)F
InChI
InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
BNPWVUJOPCGHIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluorophenol
CAS: 2713-33-9
CID: 75927
Formula: C6H4F2O
MW: 130.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.09
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass130.02302107
Monoisotopic Mass130.02302107
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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

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