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2-Fluoro-4-nitrophenol

CAT: 0127-PC3969-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-PC3969-01Size:25 g
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CAS Number
403-19-0
Synonyms
3-Fluoro-4-hydroxynitrobenzene
MDL Number
MFCD00051970
Purity
98%
Smiles
Oc1ccc(cc1F)[N+](=O)[O-]

Chemical Information

2-Fluoro-4-nitrophenol
CAS Number403-19-0
PubChem CID9825
IUPAC Name2-fluoro-4-nitrophenol
Molecular FormulaC6H4FNO3
Molecular Weight157.10
XLogP2.1
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)O
InChI
InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKey
ORPHLVJBJOCHBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-4-nitrophenol
CAS: 403-19-0
CID: 9825
Formula: C6H4FNO3
MW: 157.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.10
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass157.01752115
Monoisotopic Mass157.01752115
Topological Polar Surface Area66.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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