| CAS Number | 1192064-41-7 |
| Catalog Number | AG01AHRN(AGN-PC-0WO7YW) |
| Chemical Name | 3-(1H-1,2,4-Triazol-1-yl)phenol |
| IUPAC Name | 3-(1,2,4-triazol-1-yl)phenol |
| InChI | InChI=1S/C8H7N3O/c12-8-3-1-2-7(4-8)11-6-9-5-10-11/h1-6,12H |
| InChI Key | SHZZCMTYFATJGO-UHFFFAOYSA-N |
| MDL Number | MFCD19686221 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | OC1=CC(N2N=CN=C2)=CC=C1 |
| Synonyms | 3-(1H-1,2,4-triazol-1-yl)phenol,
1192064-41-7,
SCHEMBL1187043,
SHZZCMTYFATJGO-UHFFFAOYSA-N,
ZINC68590128,
AKOS013259650,
NE32357,
DA-14732,
FT-0722762,
EN300-75592,
Z1891775358,
|
| Complexity | 153 |
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number