| CAS Number | 1393178-31-8 |
| Catalog Number | AG009X5H(AGN-PC-0WNWPE) |
| Chemical Name | 2,3-difluoro-6-nitro-N-phenylaniline |
| IUPAC Name | 2,3-difluoro-6-nitro-N-phenylaniline |
| InChI | InChI=1S/C12H8F2N2O2/c13-9-6-7-10(16(17)18)12(11(9)14)15-8-4-2-1-3-5-8/h1-7,15H |
| InChI Key | XUIVIJFKGLNRMK-UHFFFAOYSA-N |
| MDL Number | MFCD24448833 |
| Molecular Formula | C12H8F2N2O2 |
| Molecular Weight | 250.2009 |
| SMILES | [O-][N+](=O)c1ccc(c(c1Nc1ccccc1)F)F |
| Synonyms | 2,3-difluoro-6-nitro-N-phenylaniline,
1393178-31-8,
SCHEMBL11902238,
XUIVIJFKGLNRMK-UHFFFAOYSA-N,
KM5721,
ZINC95496074,
AKOS026673150,
CJ-22714,
(2,3-Difluoro-6-nitro-phenyl)-phenylamine,
V2892,
C12H8F2N2O2,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.205g/mol |
| Monoisotopic Mass | 250.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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