| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM83044911 |
| Product Name | Methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate |
| CAS | 83044-91-1 |
| Structure |  |
| Synonyms | Methyl 3-(5-chlorobenzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamate |
| IUPAC Name | Methyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate |
| Molecular Weight | 387.9 |
| Molecular Formula | C20H22ClN3O3 |
| Canonical SMILES | CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC(=CC3=N2)Cl)O |
| InChI | InChI=1S/C20H22ClN3O3/c1-20(2,3)14-9-12(5-8-18(25)27-4)10-17(19(14)26)24-22-15-7-6-13(21)11-16(15)23-24/h6-7,9-11,26H,5,8H2,1-4H3 |
| InChIKey | VRBLLGLKTUGCSG-UHFFFAOYSA-N |
| Complexity | 527 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.1349693 |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 387.1349693 |
| Physical State | Light yellow powder |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.2 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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