| CAS Number | 957494-31-4 |
| Catalog Number | AG01BGRQ |
| Chemical Name | N-methyl-1H-1,2,3-benzotriazole-5-carboxamide |
| IUPAC Name | N-methyl-2H-benzotriazole-5-carboxamide |
| InChI | InChI=1S/C8H8N4O/c1-9-8(13)5-2-3-6-7(4-5)11-12-10-6/h2-4H,1H3,(H,9,13)(H,10,11,12) |
| InChI Key | FQVIETWSZAGFSK-UHFFFAOYSA-N |
| MDL Number | MFCD19596555 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | CNC(C1=CC2=C(NN=N2)C=C1)=O |
| Synonyms | N-methyl-1H-1,2,3-benzotriazole-5-carboxamide,
957494-31-4,
1H-Benzotriazole, polymer-bound,
SCHEMBL13446572,
ZINC60290496,
AKOS009096642,
AKOS029663695,
Z198262914,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number