| CAS Number | 1083381-62-7 |
| Catalog Number | AG019MZ6(AGN-PC-0WO28U) |
| Chemical Name | 3-Chloro-5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazole |
| IUPAC Name | 3-chloro-5-(2-chlorophenyl)-4-ethyl-1,2,4-triazole |
| InChI | InChI=1S/C10H9Cl2N3/c1-2-15-9(13-14-10(15)12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3 |
| InChI Key | BEWYJORBQLDXQF-UHFFFAOYSA-N |
| MDL Number | MFCD11099603 |
| Molecular Formula | C10H9Cl2N3 |
| Molecular Weight | 242.1046 |
| SMILES | CCN1C(C2=C(Cl)C=CC=C2)=NN=C1Cl |
| Synonyms | 3-chloro-5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazole,
1083381-62-7,
AC1Q2ZZC,
CTK6E9006,
ZINC19821692,
AKOS026726806,
MCULE-4376472799,
NE48385,
EN300-38990,
Z394693518,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.103g/mol |
| Monoisotopic Mass | 241.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number