| CAS Number | 138479-57-9 |
| Catalog Number | AG01B23Z(AGN-PC-0NKQF3) |
| Chemical Name | 2-(1H-1,2,3-benzotriazol-1-yl)benzaldehyde |
| IUPAC Name | 2-(benzotriazol-1-yl)benzaldehyde |
| InChI | InChI=1S/C13H9N3O/c17-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14-15-16/h1-9H |
| InChI Key | BQLYPHVMQDZBRV-UHFFFAOYSA-N |
| MDL Number | MFCD10691310 |
| Molecular Formula | C13H9N3O |
| Molecular Weight | 223.2301 |
| SMILES | O=CC1=C(N2C3=C(C=CC=C3)N=N2)C=CC=C1 |
| Synonyms | 2-(1H-1,2,3-benzotriazol-1-yl)benzaldehyde,
138479-57-9,
ZINC26514930,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.235g/mol |
| Monoisotopic Mass | 223.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number