| CAS Number | 1494137-73-3 |
| Catalog Number | AG00HXPO |
| Chemical Name | 4-(Diethoxymethyl)-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole |
| IUPAC Name | 4-(diethoxymethyl)-1-[(4-methoxyphenyl)methyl]triazole |
| InChI | InChI=1S/C15H21N3O3/c1-4-20-15(21-5-2)14-11-18(17-16-14)10-12-6-8-13(19-3)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3 |
| InChI Key | FGHIKIHGVHOXTE-UHFFFAOYSA-N |
| MDL Number | MFCD26523328 |
| Molecular Formula | C15H21N3O3 |
| Molecular Weight | 291.3455 |
| SMILES | CCOC(c1nnn(c1)Cc1ccc(cc1)OC)OCC |
| Synonyms | 4-(DIETHOXYMETHYL)-1-[(4-METHOXYPHENYL)METHYL]-1,2,3-TRIAZOLE,
1494137-73-3,
4-(Diethoxymethyl)-1-(4-methoxybenzyl)-1H-1,2,3-triazole,
KM3900,
ZINC90294291,
AKOS015559599,
Y2643,
C15H21N3O3,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.351g/mol |
| Monoisotopic Mass | 291.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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