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5-Amino-2,4-difluorophenol

CAT: 0013-GTR19268041-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268041-01Size:10 mg
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Description
5-Amino-2,4-difluorophenol is a pharmaceutical intermediate used in the synthesis of a variety of active compounds.
CAS Number
113512-71-3
Smiles
FC=1C=C (F) C (N) =CC1O
Molecular Formula
C6H5F2NO
Molecular Weight
145.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Amino-2,4-difluorophenol
CAS Number113512-71-3
PubChem CID2782999
IUPAC Name5-amino-2,4-difluorophenol
Molecular FormulaC6H5F2NO
Molecular Weight145.11
XLogP1.1
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1=C(C(=CC(=C1O)F)F)N
InChI
InChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChIKey
CXADAFQCFSVRGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2,4-difluorophenol
CAS: 113512-71-3
CID: 2782999
Formula: C6H5F2NO
MW: 145.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.11
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass145.03392011
Monoisotopic Mass145.03392011
Topological Polar Surface Area46.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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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TYD-03724-015-Amino-2,4-difluorophenol
PC27772-Amino-4,5-difluorophenol
PC8310-014-Amino-2,5-difluorophenol
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PC1007677-012-Amino-4,5-difluorophenol acetate
PC83064-Amino-3,5-difluorophenol
415048-012-Amino-3,5-difluorophenol
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PC1006853-013-Amino-2,4-difluorophenol

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