| CAS Number | 1429254-44-3 |
| Catalog Number | AG01BUVU |
| Chemical Name | [1-(2-chlorophenyl)-1H-1,2,3-triazol-5-yl]methanol |
| IUPAC Name | [3-(2-chlorophenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C9H8ClN3O/c10-8-3-1-2-4-9(8)13-7(6-14)5-11-12-13/h1-5,14H,6H2 |
| InChI Key | GDKLVPBBSNXAGJ-UHFFFAOYSA-N |
| MDL Number | MFCD24846864 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | OCC1N(C2=C(Cl)C=CC=C2)N=NC=1 |
| Synonyms | [1-(2-chlorophenyl)-1H-1,2,3-triazol-5-yl]methanol,
1429254-44-3,
ZINC72187223,
AKOS033969106,
Z2658864472,
[3-(2-Chloro-phenyl)-3H-[1,2,3]triazol-4-yl]-methanol,
|
| 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 | 1.1 |
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