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3-Fluoro-4-nitrobenzaldehyde

CAT: 0127-PC7624-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC7624-01Size:250 mg
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CAS Number
160538-51-2
Synonyms
2-Fluoro-4-formylnitrobenzene
MDL Number
MFCD00968940
Purity
95%
Smiles
[O-][N+](=O)c1ccc(C=O)cc1F

Chemical Information

3-Fluoro-4-nitrobenzaldehyde
CAS Number160538-51-2
PubChem CID3808120
IUPAC Name3-fluoro-4-nitrobenzaldehyde
Molecular FormulaC7H4FNO3
Molecular Weight169.11
XLogP1.4
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity192
SMILES
C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4FNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
InChIKey
BWUIGISQVCIQBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-4-nitrobenzaldehyde
CAS: 160538-51-2
CID: 3808120
Formula: C7H4FNO3
MW: 169.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.11
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass169.01752115
Monoisotopic Mass169.01752115
Topological Polar Surface Area62.9 Ų
Heavy Atom Count12
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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