| CAS Number | 1461708-48-4 |
| Catalog Number | AG01A6SX(AGN-PC-0WODR3) |
| Chemical Name | 4-(3-amino-1H-1,2,4-triazol-1-yl)phenol |
| IUPAC Name | 4-(3-amino-1,2,4-triazol-1-yl)phenol |
| InChI | InChI=1S/C8H8N4O/c9-8-10-5-12(11-8)6-1-3-7(13)4-2-6/h1-5,13H,(H2,9,11) |
| InChI Key | NWUODDKBQSKXGT-UHFFFAOYSA-N |
| MDL Number | MFCD26407614 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | NC1=NN(C2=CC=C(O)C=C2)C=N1 |
| Synonyms | 4-(3-amino-1H-1,2,4-triazol-1-yl)phenol,
1461708-48-4,
ZINC95469481,
AKOS026730492,
MCULE-6844868126,
NE48202,
Z1650168313,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number