| CAS Number | 1698027-97-2 |
| Catalog Number | AG00HZCG(AGN-PC-0WR3EX) |
| Chemical Name | 4-Bromo-2-fluoro-6-nitrobenzoic acid |
| IUPAC Name | 4-bromo-2-fluoro-6-nitrobenzoic acid |
| InChI | InChI=1S/C7H3BrFNO4/c8-3-1-4(9)6(7(11)12)5(2-3)10(13)14/h1-2H,(H,11,12) |
| InChI Key | NDJPAWIBZAMBIT-UHFFFAOYSA-N |
| MDL Number | MFCD28739992 |
| Molecular Formula | C7H3BrFNO4 |
| Molecular Weight | 264.0054 |
| SMILES | O=C(O)C1=C([N+]([O-])=O)C=C(Br)C=C1F |
| Synonyms | 4-Bromo-2-fluoro-6-nitrobenzoic acid,
1698027-97-2,
SCHEMBL16636901,
NDJPAWIBZAMBIT-UHFFFAOYSA-N,
|
| 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