Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate - CAS 1352217-61-8
Catalog: |
BB065651 |
Product Name: |
Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate |
CAS: |
1352217-61-8 |
Synonyms: |
Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate; ethyl 1-propan-2-ylbenzotriazole-5-carboxylate; 1-ISOPROPYL-1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER; Ethyl1-isopropyl-1,2,3-benzotriazole-5-carboxylate |
IUPAC Name: | ethyl 1-propan-2-ylbenzotriazole-5-carboxylate |
Description: | Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate |
Molecular Weight: | 233.26 |
Molecular Formula: | C12H15N3O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)N(N=N2)C(C)C |
InChI: | InChI=1S/C12H15N3O2/c1-4-17-12(16)9-5-6-11-10(7-9)13-14-15(11)8(2)3/h5-8H,4H2,1-3H3 |
InChI Key: | ZSFGNCCWXQWQFB-UHFFFAOYSA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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