| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM83044900-1 |
| Product Name | Benzenepropanoic acid, 3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester |
| CAS | 83044-90-0 |
| Structure |  |
| Synonyms | 3-[3-Tert-butyl-5-(5-chloro-2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionic acid 2-ethylhexyl ester |
| IUPAC Name | 2-Ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate |
| Molecular Weight | 486 |
| Molecular Formula | C27H36ClN3O3 |
| Canonical SMILES | CCCCC(CC)COC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C |
| InChI | InChI=1S/C27H36ClN3O3/c1-6-8-9-18(7-2)17-34-25(32)13-10-19-14-21(27(3,4)5)26(33)24(15-19)31-29-22-12-11-20(28)16-23(22)30-31/h11-12,14-16,18,33H,6-10,13,17H2,1-5H3 |
| InChIKey | AWEVLIFGIMIQHY-UHFFFAOYSA-N |
| Complexity | 643 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 485.2445197 |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 485.2445197 |
| Physical State | Yellow viscous liquid |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 77.2 Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![Methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate](https://resource.alfa-chemistry.com/structure/83044-91-1.gif)
