| CAS Number | 1020043-28-0 |
| Catalog Number | AG019MQW |
| Chemical Name | 4-benzyl-3-chloro-5-phenyl-4H-1,2,4-triazole |
| IUPAC Name | 4-benzyl-3-chloro-5-phenyl-1,2,4-triazole |
| InChI | InChI=1S/C15H12ClN3/c16-15-18-17-14(13-9-5-2-6-10-13)19(15)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChI Key | MYRBSCDFIIDPDV-UHFFFAOYSA-N |
| MDL Number | MFCD09995976 |
| Molecular Formula | C15H12ClN3 |
| Molecular Weight | 269.7289 |
| SMILES | ClC1N(CC2=CC=CC=C2)C(C2=CC=CC=C2)=NN=1 |
| Synonyms | 4-benzyl-3-chloro-5-phenyl-4H-1,2,4-triazole,
1020043-28-0,
AC1Q3KXM,
CTK6H4353,
ZINC32627150,
AKOS009292771,
MCULE-8267196616,
NE24576,
EN300-37004,
Z381357620,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.732g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number