Methyl 1-ethylbenzotriazole-5-carboxylate - CAS 1393441-71-8
Catalog: |
BB076001 |
Product Name: |
Methyl 1-ethylbenzotriazole-5-carboxylate |
CAS: |
1393441-71-8 |
Synonyms: |
Methyl 1-ethylbenzotriazole-5-carboxylate; METHYL 1-ETHYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE; Methyl1-ethylbenzotriazole-5-carboxylate |
IUPAC Name: | methyl 1-ethylbenzotriazole-5-carboxylate |
Description: | Methyl 1-ethylbenzotriazole-5-carboxylate |
Molecular Weight: | 205.21 |
Molecular Formula: | C10H11N3O2 |
Canonical SMILES: | CCN1C2=C(C=C(C=C2)C(=O)OC)N=N1 |
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 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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