| CAS Number | 68535-50-2 |
| Catalog Number | AG01A35L(AGN-PC-0NJ1XV) |
| Chemical Name | 4-(1H-1,2,3-Triazol-1-yl)phenol |
| IUPAC Name | 4-(triazol-1-yl)phenol |
| InChI | InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-6-5-9-10-11/h1-6,12H |
| InChI Key | RSZRMXYZBCUXAL-UHFFFAOYSA-N |
| MDL Number | MFCD22628513 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | N1(N=NC=C1)C1=CC=C(C=C1)O |
| Synonyms | 4-(1H-1,2,3-triazol-1-yl)phenol,
68535-50-2,
SCHEMBL1186707,
RSZRMXYZBCUXAL-UHFFFAOYSA-N,
ZINC39233420,
AKOS022636215,
MCULE-3270411146,
NE50615,
4-(1H-1,2,3-Triazole-1-yl)phenol,
DA-04298,
Phenol, 4-(1H-1,2,3-triazol-1-yl)-,
FT-0770196,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number