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4-(2,6-Difluorophenyl)phenol

CAT: 0572-TRC-D447515-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D447515-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
628306-32-1
Hazard Statement
No Data Available
Smiles
OC1=CC=C(C=C1)C2=C(C=CC=C2F)F
Molecular Formula
C12H8F2O
Molecular Weight
206.19
InChI
InChI=1S/C12H8F2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H
Additionnal Information
IUPAC name: 2',6'-difluoro-[1,1'-biphenyl]-4-ol
Shipping Conditions
Room Temperature

Chemical Information

4-(2,6-Difluorophenyl)phenol
CAS Number628306-32-1
PubChem CID53218545
IUPAC Name4-(2,6-difluorophenyl)phenol
Molecular FormulaC12H8F2O
Molecular Weight206.19
XLogP3.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity192
SMILES
C1=CC(=C(C(=C1)F)C2=CC=C(C=C2)O)F
InChI
InChI=1S/C12H8F2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H
InChIKey
NHBBHSPCHOHTDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-Difluorophenyl)phenol
CAS: 628306-32-1
CID: 53218545
Formula: C12H8F2O
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass206.05432120
Monoisotopic Mass206.05432120
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity192
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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Alternative Products

CatalogName
428736-014- (2,6-Difluorophenyl) phenol
FD104167-014- (2,4-Difluorophenyl) phenol
422561-013- (2,6-Difluorophenyl) phenol
428703-014- (2,3-Difluorophenyl) phenol
422539-013- (2,4-Difluorophenyl) phenol
428944-014- (3,5-Difluorophenyl) phenol
sc-4929782-{[ (3,4-difluorophenyl) amino]methyl}phenol
sc-4942424-chloro-2-{[ (2,4-difluorophenyl) amino]methyl}phenol
422552-013- (2,5-Difluorophenyl) phenol
HSB67227-014- (2,6-Difluorophenyl) butanenitrile

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