| CAS Number | 1334149-57-3 |
| Catalog Number | AG00JIQK(AGN-PC-0WO6NC) |
| Chemical Name | 4-(4H-1,2,4-Triazol-3-yl)phenol |
| IUPAC Name | 4-(1H-1,2,4-triazol-5-yl)phenol |
| InChI | InChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11) |
| InChI Key | ZVILJBKZPFBMHZ-UHFFFAOYSA-N |
| MDL Number | MFCD19686229 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | OC1=CC=C(C2=NC=NN2)C=C1 |
| Synonyms | 4-(4H-1,2,4-triazol-3-yl)phenol,
1334149-57-3,
SCHEMBL1395370,
STL434953,
ZINC68592129,
AKOS015830675,
AKOS023166369,
AKOS024051890,
4-(1H-1,2,4-triazol-3-yl)phenol,
MCULE-7332096668,
NE16534,
EN300-77930,
Z1259155935,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number