| CAS Number | 1271724-77-6 |
| Catalog Number | AG00IU46(AGN-PC-0WAZ9J) |
| Chemical Name | ethyl 2-(4-benzyl-1H-1,2,3-triazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(4-benzyltriazol-1-yl)acetate |
| InChI | InChI=1S/C13H15N3O2/c1-2-18-13(17)10-16-9-12(14-15-16)8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3 |
| InChI Key | MYRVHDNZPCHLCU-UHFFFAOYSA-N |
| MDL Number | MFCD28023541 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | O=C(OCC)CN1(N=NC(=C1)CC2(=CC=CC=C2)) |
| Synonyms | ethyl 2-(4-benzyl-1H-1,2,3-triazol-1-yl)acetate,
1271724-77-6,
KS-000024FN,
ZINC72159590,
AKOS025393348,
DK-0723,
OR310810,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number