| CAS Number | 1208077-88-6 |
| Catalog Number | AG003A9X(AGN-PC-0WNOLS) |
| Chemical Name | 4-Hydroxy-2-(trifluoromethyl)benzamide |
| IUPAC Name | 4-hydroxy-2-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-4(13)1-2-5(6)7(12)14/h1-3,13H,(H2,12,14) |
| InChI Key | YNGWPMPAPRAOOE-UHFFFAOYSA-N |
| MDL Number | MFCD13176522 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.1339 |
| SMILES | O=C(N)C1=CC=C(O)C=C1C(F)(F)F |
| Synonyms | 4-Hydroxy-2-(trifluoromethyl)benzamide,
1208077-88-6,
KS-00003KPA,
MFCD13176522,
ZINC40572026,
AKOS017559823,
FS-2323,
MB12335,
4-hydroxy-2-(trifluoromethyl)benzamide, AldrichCPR,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.136g/mol |
| Monoisotopic Mass | 205.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number