| CAS Number | 338419-11-7 |
| Catalog Number | AG00IP0B(AGN-PC-0WATKE) |
| Chemical Name | [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(3,4-dichlorophenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2 |
| InChI Key | DMIRTDWEKUNBDX-UHFFFAOYSA-N |
| MDL Number | MFCD00140934 |
| Molecular Formula | C9H7Cl2N3O |
| Molecular Weight | 244.0774 |
| SMILES | OCC1N=NN(C2=CC(Cl)=C(Cl)C=C2)C=1 |
| Synonyms | [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol,
338419-11-7,
[1-(3,4-dichlorophenyl)triazol-4-yl]methanol,
CHEMBL1823290,
KS-00001WC2,
ZINC1387965,
AKOS011688337,
4F-359S,
MCULE-2302100428,
NE32757,
Z1891776064,
AC1LRQBM,
CID1475797,
1-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-yl-methanol,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.996617g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.07g/mol |
| Monoisotopic Mass | 242.996617g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number