| CAS Number | 1379365-61-3 |
| Catalog Number | AG009YUO(AGN-PC-0WR23C) |
| Chemical Name | 4-Amino-5-bromo-2,3-difluorobenzoic acid |
| IUPAC Name | 4-amino-5-bromo-2,3-difluorobenzoic acid |
| InChI | InChI=1S/C7H4BrF2NO2/c8-3-1-2(7(12)13)4(9)5(10)6(3)11/h1H,11H2,(H,12,13) |
| InChI Key | MMEZYCSUXJMVOB-UHFFFAOYSA-N |
| MDL Number | MFCD18072907 |
| Molecular Formula | C7H4BrF2NO2 |
| Molecular Weight | 252.0130 |
| SMILES | NC1=C(Br)C=C(C(O)=O)C(F)=C1F |
| Synonyms | 4-Amino-5-bromo-2,3-difluorobenzoic acid,
1379365-61-3,
MFCD18072907,
ZINC238632467,
CM12354,
AS-33102,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.015g/mol |
| Monoisotopic Mass | 250.939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number