| CAS Number | 439144-66-8 |
| Catalog Number | AG01EOA8(AGN-PC-009N0D) |
| Chemical Name | IMD-0560 |
| IUPAC Name | N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide |
| InChI | InChI=1S/C15H8BrF6NO2/c16-8-2-4-12(24)9(6-8)13(25)23-11-5-7(14(17,18)19)1-3-10(11)15(20,21)22/h1-6,24H,(H,23,25) |
| InChI Key | SVGRIJCSKWXOPA-UHFFFAOYSA-N |
| MDL Number | MFCD31630827 |
| Molecular Formula | C15H8BrF6NO2 |
| Molecular Weight | 428.1239 |
| SMILES | FC(C1=C(C=C(C=C1)C(F)(F)F)NC(C1=C(C=CC(=C1)Br)O)=O)(F)F |
| UNII | 419X829330 |
| Synonyms | IMD-0560,
N-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hydroxybenzamide,
IMD-0560,
439144-66-8,
UNII-419X829330,
419X829330,
SCHEMBL331595,
SVGRIJCSKWXOPA-UHFFFAOYSA-N,
Benzamide, N-(2,5-bis(trifluoromethyl)phenyl)-5-bromo-2-hydroxy-,
CS-7933,
HY-105661,
5-Bromo-2-hydroxy-N-[2,5-bis(trifluoromethyl)phenyl]benzamide,
N-[2,5-Bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide,
CID11464503,
N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxy-benzamide,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 426.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.128g/mol |
| Monoisotopic Mass | 426.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number