| CAS Number | 1248127-97-0 |
| Catalog Number | AG01A2IK(AGN-PC-0WO669) |
| Chemical Name | [1-(2-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(2-chloro-4-fluorophenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C9H7ClFN3O/c10-8-3-6(11)1-2-9(8)14-4-7(5-15)12-13-14/h1-4,15H,5H2 |
| InChI Key | JCETWYTWTMGVHS-UHFFFAOYSA-N |
| MDL Number | MFCD16747684 |
| Molecular Formula | C9H7ClFN3O |
| Molecular Weight | 227.6228 |
| SMILES | OCC1N=NN(C2=C(Cl)C=C(F)C=C2)C=1 |
| Synonyms | [1-(2-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol,
1248127-97-0,
ZINC52221299,
AKOS011689691,
NE19083,
Z1891776148,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.623g/mol |
| Monoisotopic Mass | 227.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number