| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM3147760-1 |
| Product Name | 2-(2H-Benzotriazol-2-yl)-4-tert-butylphenol |
| CAS | 3147-76-0 |
| Structure |  |
| Synonyms | 2-(5-Tert-Butyl-2-hydroxyphenyl)benzotriazole |
| IUPAC Name | 2-(Benzotriazol-2-yl)-4-tert-butylphenol |
| Molecular Weight | 267.33 |
| Molecular Formula | C16H17N3O |
| Canonical SMILES | CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 |
| InChI | InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3 |
| InChIKey | WXHVQMGINBSVAY-UHFFFAOYSA-N |
| Boiling Point | 438.1±55.0 °C |
| Melting Point | 97 °C |
| Purity | 98%+ |
| Complexity | 327 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.137162174 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 267.137162174 |
| Physical State | Solid |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9 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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