| CAS Number | 733795-22-7 |
| Catalog Number | AG019IXY |
| Chemical Name | 2-chloro-N'-(phenylmethylidene)-N-[3-(trifluoromethyl)phenyl]acetohydrazide |
| IUPAC Name | N-(benzylideneamino)-2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C16H12ClF3N2O/c17-10-15(23)22(21-11-12-5-2-1-3-6-12)14-8-4-7-13(9-14)16(18,19)20/h1-9,11H,10H2 |
| InChI Key | PGTUSOAQOFDCGL-UHFFFAOYSA-N |
| MDL Number | MFCD04636868 |
| Molecular Formula | C16H12ClF3N2O |
| Molecular Weight | 340.7275 |
| SMILES | FC(C1=CC(N(C(CCl)=O)N=CC2=CC=CC=C2)=CC=C1)(F)F |
| Synonyms | 2-chloro-N'-(phenylmethylidene)-N-[3-(trifluoromethyl)phenyl]acetohydrazide,
733795-22-7,
AC1MX656,
CTK6H4819,
AKOS030661783,
MCULE-1184018696,
N-(benzylideneamino)-2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide,
ZINC03887189,
CID3785367,
2-chloro-N'-[(1E)-phenylmethylene]-N-[3-(trifluoromethyl)phenyl]acetohydrazide,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.73g/mol |
| Monoisotopic Mass | 340.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number