| CAS Number | 138624-62-1 |
| Catalog Number | AG01BDT3(AGN-PC-0O1M33) |
| Chemical Name | (4-phenyl-4H-1,2,4-triazol-3-yl)methanol |
| IUPAC Name | (4-phenyl-1,2,4-triazol-3-yl)methanol |
| InChI | InChI=1S/C9H9N3O/c13-6-9-11-10-7-12(9)8-4-2-1-3-5-8/h1-5,7,13H,6H2 |
| InChI Key | YXJZNBPGFPPTJA-UHFFFAOYSA-N |
| MDL Number | MFCD22684346 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | OCC1N(C2=CC=CC=C2)C=NN=1 |
| Synonyms | (4-phenyl-4H-1,2,4-triazol-3-yl)methanol,
138624-62-1,
ZINC75844689,
AKOS020245616,
MCULE-5071854633,
NE44455,
Z1868316891,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.191g/mol |
| Monoisotopic Mass | 175.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number