| CAS Number | 1393441-71-8 |
| Catalog Number | AG009WSQ(AGN-PC-0WADOU) |
| Chemical Name | Methyl 1-ethylbenzotriazole-5-carboxylate |
| IUPAC Name | methyl 1-ethylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C10H11N3O2/c1-3-13-9-5-4-7(10(14)15-2)6-8(9)11-12-13/h4-6H,3H2,1-2H3 |
| InChI Key | YNCHPTOPGIILEG-UHFFFAOYSA-N |
| MDL Number | MFCD22383705 |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.2132 |
| SMILES | O=C(C1=CC=C(N(CC)N=N2)C2=C1)OC |
| Synonyms | Methyl 1-ethylbenzotriazole-5-carboxylate,
1393441-71-8,
KM3909,
ZINC57651003,
AKOS017259584,
V2904,
METHYL 1-ETHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE,
C10H11N3O2,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.217g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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