| CAS Number | 1526564-53-3 |
| Catalog Number | AG01BDOW |
| Chemical Name | 3-Bromo-2-Fluoro-5-Nitrobenzoic Acid |
| IUPAC Name | 3-bromo-2-fluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H3BrFNO4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | NJJWVKUETMQWGE-UHFFFAOYSA-N |
| MDL Number | MFCD24107180 |
| Molecular Formula | C7H3BrFNO4 |
| Molecular Weight | 264.0054 |
| SMILES | C1=C(C=C(C(=C1Br)F)C(=O)O)[N+](=O)[O-] |
| Synonyms | 3-bromo-2-fluoro-5-nitrobenzoic acid,
1526564-53-3,
ZINC98095434,
AKOS020008340,
NE33890,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.006g/mol |
| Monoisotopic Mass | 262.923g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number