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4-Fluoro-3-nitrobenzamide

CAT: 0127-PC99862-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC99862-01Size:100 mg
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CAS Number
349-02-0
MDL Number
MFCD11110229
Purity
98%
Smiles
O=C(N)C1=CC=C(F)C([N+]([O-])=O)=C1

Chemical Information

4-Fluoro-3-nitrobenzamide
CAS Number349-02-0
PubChem CID21884184
IUPAC Name4-fluoro-3-nitrobenzamide
Molecular FormulaC7H5FN2O3
Molecular Weight184.12
XLogP1.2
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])F
InChI
InChI=1S/C7H5FN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
XQKXDVBKKZWIAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-3-nitrobenzamide
CAS: 349-02-0
CID: 21884184
Formula: C7H5FN2O3
MW: 184.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.12
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass184.02842019
Monoisotopic Mass184.02842019
Topological Polar Surface Area88.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
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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