2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol

• CAS: 36437-37-3
• Catalog Number: ACM36437373-1
• Category: Main Products
• Molecular Weight: 323.4
• Molecular Formula: C20H25N3O
• Synonyms: 2-(3-Sec-butyl-5-tert-butyl-2-hydroxyphenyl)benzotriazole
• IUPAC Name: 2-(Benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenol
• Canonical SMILES: CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O
• InChI: InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3
• InChI Key: RTNVDKBRTXEWQE-UHFFFAOYSA-N
• Boiling Point: 458.0±55.0 °C
• Melting Point: 81-83 °C
• Flash Point: 230.8 °C
• Complexity: 408
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 323.199762429
• Formal Charge: 0
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 323.199762429
• Physical State: Light yellow powder
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 50.9 Ų
• Undefined Atom Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0