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Specification
The molecular formula of 3-Fluoro-4-nitroaniline is C6H5FN2O2.
The molecular weight of 3-Fluoro-4-nitroaniline is 156.11 g/mol.
3-Fluoro-4-nitroaniline was created on March 26, 2005.
The IUPAC name of 3-Fluoro-4-nitroaniline is computed by Lexichem TK 2.7.0.
The InChI of 3-Fluoro-4-nitroaniline is "InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2."
The InChIKey of 3-Fluoro-4-nitroaniline is "KKQPNAPYVIIXFB-UHFFFAOYSA-N."
The canonical SMILES of 3-Fluoro-4-nitroaniline is "C1=CC(=C(C=C1N)F)[N+](=O)[O-]."
The CAS number of 3-Fluoro-4-nitroaniline is 2369-13-3.
The XLogP3 value of 3-Fluoro-4-nitroaniline is 0.8.
Yes, 3-Fluoro-4-nitroaniline is a canonicalized compound.