| CAS Number | 1138331-74-4 |
| Catalog Number | AG01B1GC |
| Chemical Name | 2-Bromo-4-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 2-bromo-4-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H4BrF3O3/c9-6-3-4(15-8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14) |
| InChI Key | IICZHYLOCHKTPT-UHFFFAOYSA-N |
| MDL Number | MFCD13185876 |
| Molecular Formula | C8H4BrF3O3 |
| Molecular Weight | 285.0148 |
| SMILES | BrC1=C(C(=O)O)C=CC(=C1)OC(F)(F)F |
| Synonyms | 2-bromo-4-(trifluoromethoxy)benzoic acid,
1138331-74-4,
2-Bromo-4-(trifluoromethoxy)benzonic acid,
SCHEMBL3030351,
IICZHYLOCHKTPT-UHFFFAOYSA-N,
MFCD13185876,
ZINC90411252,
AKOS032958218,
Y3705,
Q-8891,
Z2752201029,
C8H4BrF3O3,
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| Complexity | 244 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.016g/mol |
| Monoisotopic Mass | 283.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number