| CAS Number | 50419-85-7 |
| Catalog Number | AG00DNJ5 |
| Chemical Name | 2-amino-5-bromo-3-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2-amino-5-bromo-3-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H5BrF3NO2/c9-3-1-4(7(14)15)6(13)5(2-3)8(10,11)12/h1-2H,13H2,(H,14,15) |
| InChI Key | DQEHUKWTOSTBGZ-UHFFFAOYSA-N |
| MDL Number | MFCD19441382 |
| Molecular Formula | C8H5BrF3NO2 |
| Molecular Weight | 284.0300 |
| SMILES | NC1=C(C(F)(F)F)C=C(Br)C=C1C(O)=O |
| Synonyms | 2-amino-5-bromo-3-(trifluoromethyl)benzoic acid,
50419-85-7,
SCHEMBL10215345,
MFCD19441382,
ZINC59919162,
PC49385,
PS-11256,
Benzoic acid, 2-amino-5-bromo-3-(trifluoromethyl)-,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.032g/mol |
| Monoisotopic Mass | 282.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number