| CAS Number | 807327-07-7 |
| Catalog Number | AG00GAJI |
| Chemical Name | 4-Amino-2-fluoro-5-nitrobenzoic acid |
| IUPAC Name | 4-amino-2-fluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5FN2O4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,9H2,(H,11,12) |
| InChI Key | LUOJJGUZYDDOBW-UHFFFAOYSA-N |
| MDL Number | MFCD11036161 |
| Molecular Formula | C7H5FN2O4 |
| Molecular Weight | 200.1240 |
| SMILES | NC1=CC(=C(C(=O)O)C=C1[N+](=O)[O-])F |
| Synonyms | 4-Amino-2-fluoro-5-nitrobenzoic acid,
807327-07-7,
SCHEMBL671688,
LUOJJGUZYDDOBW-UHFFFAOYSA-N,
MFCD11036161,
ZINC91252322,
2-Fluoro-4-amino-5-nitro-benzoic acid,
4-Amino-2-fluoro-5-nitro-benzoic acid,
4-Amino-5-nitro-2-fluoro-benzoic acid,
Benzoic acid, 4-amino-2-fluoro-5-nitro-,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.125g/mol |
| Monoisotopic Mass | 200.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number