| CAS Number | 1352217-61-8 |
| Catalog Number | AG009WTG(AGN-PC-0WAD0S) |
| Chemical Name | Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | ethyl 1-propan-2-ylbenzotriazole-5-carboxylate |
| 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 |
| MDL Number | MFCD20920217 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | CCOC(=O)c1ccc2c(c1)nnn2C(C)C |
| Synonyms | Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate,
1352217-61-8,
ZINC95496132,
Z9845,
K-4273,
1-ISOPROPYL-1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER,
C12H15N3O2,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number