| CAS Number | 251300-31-9 |
| Catalog Number | AG00I4SH(AGN-PC-0WP1T8) |
| Chemical Name | 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid |
| IUPAC Name | 5-bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H4BrF3O3/c9-3-1-4(7(14)15)6(13)5(2-3)8(10,11)12/h1-2,13H,(H,14,15) |
| InChI Key | RXZMPNQNKZGQAY-UHFFFAOYSA-N |
| MDL Number | MFCD28101654 |
| Molecular Formula | C8H4BrF3O3 |
| Molecular Weight | 285.0148 |
| SMILES | BrC=1C=C(C(=C(C(=O)O)C1)O)C(F)(F)F |
| Synonyms | 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid,
251300-31-9,
ZX-AP002753,
MFCD06203616,
ZINC44199449,
AKOS027366376,
PC49615,
PS-11272,
2-Hydroxy-3-(trifluoromethyl)-5-bromobenzoic acid,
5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid 97%,
5-Bromo-3-(trifluoromethyl)-2-hydroxybenzoic acid,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.016g/mol |
| Monoisotopic Mass | 283.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number