| CAS Number | 2253744-53-3 |
| Catalog Number | AG01EO6W(AGN-PC-3H468E) |
| Chemical Name | DJ-V-159 |
| IUPAC Name | 1-N,3-N-bis[4-cyano-3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide |
| InChI | InChI=1S/C24H12F6N4O2/c25-23(26,27)19-9-17(6-4-15(19)11-31)33-21(35)13-2-1-3-14(8-13)22(36)34-18-7-5-16(12-32)20(10-18)24(28,29)30/h1-10H,(H,33,35)(H,34,36) |
| InChI Key | VEVNLJLJLVESLL-UHFFFAOYSA-N |
| MDL Number | MFCD31807620 |
| Molecular Formula | C24H12F6N4O2 |
| Molecular Weight | 502.3681 |
| SMILES | C(#N)C1=C(C=C(C=C1)NC(C1=CC(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)=CC=C1)=O)C(F)(F)F |
| Synonyms | DJ-V-159,
2253744-53-3,
DJ-V159,
HY-114165,
CS-0077824,
|
| Complexity | 845 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.376g/mol |
| Monoisotopic Mass | 502.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number