| CAS Number | 301655-23-2 |
| Catalog Number | AG01EURM(AGN-PC-0KP4HS) |
| Chemical Name | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-phenylacetamide |
| IUPAC Name | 2-(benzotriazol-1-yl)-N-phenylacetamide |
| InChI | InChI=1S/C14H12N4O/c19-14(15-11-6-2-1-3-7-11)10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19) |
| InChI Key | AJAOZDZESVNWCR-UHFFFAOYSA-N |
| MDL Number | MFCD00430915 |
| Molecular Formula | C14H12N4O |
| Molecular Weight | 252.2713 |
| SMILES | C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2 |
| Synonyms | 2-(1H-1,2,3-Benzotriazol-1-yl)-N-phenylacetamide Mixture of isomers,
301655-23-2,
AC1MJHAZ,
BAS 00126586,
Oprea1_035985,
Oprea1_160131,
ZINC3157318,
AKOS000666921,
2-Benzotriazol-1-yl-N-phenyl-acetamide,
2-(benzotriazol-1-yl)-N-phenylacetamide,
CID3091935,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.277g/mol |
| Monoisotopic Mass | 252.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number