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5-Fluoro-2-nitroaniline

CAT: 0926-FF37677-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FF37677-01Size:100 g
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CAS Number
2369-11-1
MDL Number
MFCD00034065
Smiles
Nc1cc (F) ccc1[N+] (=O) [O-]
Molecular Formula
C6H5FN2O2
Molecular Weight
156.11 g/mol
Controlled
No

Chemical Information

5-Fluoro-2-nitroaniline
CAS Number2369-11-1
PubChem CID75399
IUPAC Name5-fluoro-2-nitroaniline
Molecular FormulaC6H5FN2O2
Molecular Weight156.11
XLogP1.3
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1F)N)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChIKey
PEDMFCHWOVJDNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2-nitroaniline
CAS: 2369-11-1
CID: 75399
Formula: C6H5FN2O2
MW: 156.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight156.11
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass156.03350557
Monoisotopic Mass156.03350557
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
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