| CAS Number | 1419075-83-4 |
| Catalog Number | AG001HC2(AGN-PC-0WAA2C) |
| Chemical Name | 4-Bromo-2-fluoro-3-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 4-bromo-2-fluoro-3-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H3BrF4O3/c9-4-2-1-3(7(14)15)5(10)6(4)16-8(11,12)13/h1-2H,(H,14,15) |
| InChI Key | IXFAQDWACWVXRW-UHFFFAOYSA-N |
| MDL Number | MFCD23140378 |
| Molecular Formula | C8H3BrF4O3 |
| Molecular Weight | 303.0052 |
| SMILES | Brc1ccc(c(c1OC(F)(F)F)F)C(=O)O |
| Synonyms | 4-bromo-2-fluoro-3-(trifluoromethoxy)benzoic acid,
1419075-83-4,
SCHEMBL14915656,
IXFAQDWACWVXRW-UHFFFAOYSA-N,
MFCD23140378,
ZINC97758933,
AKOS025296432,
CB-4065,
FT-0718869,
Benzoic acid, 4-bromo-2-fluoro-3-(trifluoromethoxy)-,
ACN-037890,
1000343-13-4,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.007g/mol |
| Monoisotopic Mass | 301.92g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number