| CAS Number | 1881291-06-0 |
| Catalog Number | AG00I22R(AGN-PC-0WP1SM) |
| Chemical Name | N-(5-bromo-2-fluoro-3-hydroxyphenyl)-2,2,2-trifluoroacetamide |
| IUPAC Name | N-(5-bromo-2-fluoro-3-hydroxyphenyl)-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C8H4BrF4NO2/c9-3-1-4(6(10)5(15)2-3)14-7(16)8(11,12)13/h1-2,15H,(H,14,16) |
| InChI Key | GJIYNLSVXJBQJW-UHFFFAOYSA-N |
| MDL Number | MFCD29044732 |
| Molecular Formula | C8H4BrF4NO2 |
| Molecular Weight | 302.0205 |
| SMILES | Brc1cc(NC(=O)C(F)(F)F)c(c(c1)O)F |
| Synonyms | N-(5-BROMO-2-FLUORO-3-HYDROXYPHENYL)-2,2,2-TRIFLUOROACETAMIDE,
1881291-06-0,
ZINC261493637,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.023g/mol |
| Monoisotopic Mass | 300.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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