| CAS Number | 1096130-75-4 |
| Catalog Number | AG01B9BM |
| Chemical Name | [1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(2-methylphenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C10H11N3O/c1-8-4-2-3-5-10(8)13-6-9(7-14)11-12-13/h2-6,14H,7H2,1H3 |
| InChI Key | QTJUUGNDIUSRTF-UHFFFAOYSA-N |
| MDL Number | MFCD11844961 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | CC1=C(N2N=NC(CO)=C2)C=CC=C1 |
| Synonyms | 1096130-75-4,
(1-(o-Tolyl)-1H-1,2,3-triazol-4-yl)methanol,
[1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol,
1H-1,2,3-Triazole-4-methanol, 1-(2-methylphenyl)-,
CHEMBL1823285,
SCHEMBL19211404,
ALBB-031939,
[1-(o-Tolyl)triazol-4-yl]methanol,
ZINC52221443,
AKOS011687570,
F2157-0655,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number