| CAS Number | 1208076-77-0 |
| Catalog Number | AG01F9QJ(AGN-PC-3H49D9) |
| Chemical Name | 4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid |
| IUPAC Name | 4-amino-5-bromo-2-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H5BrF3NO2/c9-5-1-3(7(14)15)4(2-6(5)13)8(10,11)12/h1-2H,13H2,(H,14,15) |
| InChI Key | WXUDGCIRGQCIKP-UHFFFAOYSA-N |
| MDL Number | MFCD12026304 |
| Molecular Formula | C8H5BrF3NO2 |
| Molecular Weight | 284.03 |
| SMILES | OC(=O)c1cc(Br)c(cc1C(F)(F)F)N |
| Synonyms | 4-Amino-5-bromo-2-(trifluoromethyl)benzoic acid,
1208076-77-0,
ZINC36533259,
FS-6191,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number