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2,4-Difluoro-5-hydroxybenzonitrile

CAT: 0127-PC1006936-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1006936-01Size:100 mg
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CAS Number
1806273-04-0
MDL Number
MFCD28789044
Purity
97%
Smiles
N#CC1=CC(O)=C(F)C=C1F

Chemical Information

2,4-Difluoro-5-hydroxybenzonitrile
CAS Number1806273-04-0
PubChem CID117276033
IUPAC Name2,4-difluoro-5-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=C(C(=CC(=C1O)F)F)C#N
InChI
InChI=1S/C7H3F2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H
InChIKey
ORAUQGDBWNRTOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoro-5-hydroxybenzonitrile
CAS: 1806273-04-0
CID: 117276033
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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sc-2677974,5-Difluoro-2-hydroxybenzonitrile
427381-013,5-Difluoro-4-hydroxybenzonitrile
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FD70319-012,3-Difluoro-4-hydroxybenzonitrile
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