| CAS Number | 1461706-60-4 |
| Catalog Number | AG01A60N |
| Chemical Name | 1-(3-chloro-4-fluorophenyl)-4-(diethoxymethyl)-1H-1,2,3-triazole |
| IUPAC Name | 1-(3-chloro-4-fluorophenyl)-4-(diethoxymethyl)triazole |
| InChI | InChI=1S/C13H15ClFN3O2/c1-3-19-13(20-4-2)12-8-18(17-16-12)9-5-6-11(15)10(14)7-9/h5-8,13H,3-4H2,1-2H3 |
| InChI Key | HAHVBNORUFXOEY-UHFFFAOYSA-N |
| MDL Number | MFCD25371664 |
| Molecular Formula | C13H15ClFN3O2 |
| Molecular Weight | 299.7285 |
| SMILES | CCOC(C1N=NN(C2=CC(Cl)=C(F)C=C2)C=1)OCC |
| Synonyms | 1-(3-chloro-4-fluorophenyl)-4-(diethoxymethyl)-1H-1,2,3-triazole,
1461706-60-4,
ZINC90295206,
AKOS015560075,
NE39401,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.73g/mol |
| Monoisotopic Mass | 299.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number