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2,3-Difluoro-4-hydroxybenzonitrile

CAT: 0926-FD70319-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FD70319-01Size:10 g
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CAS Number
126162-38-7
Synonyms
4-Cyano-2,3-difluorophenol
MDL Number
MFCD00269596
Smiles
C1=CC (=C (C (=C1C#N) F) F) O
Molecular Formula
C7H3F2NO
Molecular Weight
155.1 g/mol
Controlled
No

Chemical Information

2,3-Difluoro-4-hydroxybenzonitrile
CAS Number126162-38-7
PubChem CID2736978
IUPAC Name2,3-difluoro-4-hydroxybenzonitrile
Molecular FormulaC7H3F2NO
Molecular Weight155.10
XLogP1.5
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity188
SMILES
C1=CC(=C(C(=C1C#N)F)F)O
InChI
InChI=1S/C7H3F2NO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H
InChIKey
UIJJJWADIVZXNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Difluoro-4-hydroxybenzonitrile
CAS: 126162-38-7
CID: 2736978
Formula: C7H3F2NO
MW: 155.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.10
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass155.01827004
Monoisotopic Mass155.01827004
Topological Polar Surface Area44 Ų
Heavy Atom Count11
Formal Charge0
Complexity188
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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