| CAS Number | 428871-69-6 |
| Catalog Number | AG00CLD6(AGN-PC-03HLNB) |
| Chemical Name | 5-Fluoro-4-methyl-2-nitroaniline |
| IUPAC Name | 5-fluoro-4-methyl-2-nitroaniline |
| InChI | InChI=1S/C7H7FN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3 |
| InChI Key | IIUQXQQDJLQLCC-UHFFFAOYSA-N |
| MDL Number | MFCD26797259 |
| Molecular Formula | C7H7FN2O2 |
| Molecular Weight | 170.1411 |
| SMILES | CC1=C(F)C=C(N)C([N+]([O-])=O)=C1 |
| Synonyms | 5-fluoro-4-methyl-2-nitroaniline,
428871-69-6,
(5-Fluoro-4-methyl-2-nitrophenyl)amine,
5-Fluoro-4-methyl-2-nitro-phenylamine,
SCHEMBL5949104,
ALBB-028790,
MFCD26797259,
AKOS025141861,
ZINC125104795,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.143g/mol |
| Monoisotopic Mass | 170.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number