| CAS Number | 1597924-54-3 |
| Catalog Number | AG01BGC9(AGN-PC-0WOR6T) |
| Chemical Name | [4-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]methanol |
| IUPAC Name | [4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methanol |
| InChI | InChI=1S/C9H8ClN3O/c10-8-2-1-7(4-14)9(3-8)13-6-11-5-12-13/h1-3,5-6,14H,4H2 |
| InChI Key | UEHMNGRIRJPSQS-UHFFFAOYSA-N |
| MDL Number | MFCD28139383 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | OCC1=C(N2N=CN=C2)C=C(Cl)C=C1 |
| Synonyms | [4-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]methanol,
1597924-54-3,
AKOS026741553,
ZINC163105566,
Z1946684584,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number