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Basic Information
CAS No.: 98809-58-6
Name: 1-METHALLYL-2-(2-HYDROXY-5-METHYL PHENYL) BENZOTRIAZOLE
Molecular Structure:
Molecular Structure of 98809-58-6 (1-METHALLYL-2-(2-HYDROXY-5-METHYL PHENYL) BENZOTRIAZOLE)
Formula: C17H17N3O
Molecular Weight: 279.341
Synonyms: Phenol,2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propenyl)- (9CI);
EINECS: 419-750-9
Density: 1.186 g/cm3
Boiling Point: 460.104 °C at 760 mmHg
Flash Point: 232.063 °C
PSA: 45.88000
LogP: 3.91240
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Specification

The Phenol,2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propen-1-yl)-, with the CAS registry number 98809-58-6, is also known as 2-(2H-1,2,3-Benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propen-1-yl)phenol. This chemical's molecular formula is C17H17N3O and molecular weight is 279.3364. Its systematic name is called 2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methylprop-2-en-1-yl)phenol.

Physical properties of Phenol,2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propen-1-yl)-: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 16974; (6)ACD/BCF (pH 7.4): 13182; (7)ACD/KOC (pH 5.5): 37052; (8)ACD/KOC (pH 7.4): 28775; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 83.605 cm3; (14)Molar Volume: 235.627 cm3; (15)Surface Tension: 42.918 dyne/cm; (16)Density: 1.186 g/cm3; (17)Flash Point: 232.063 °C; (18)Enthalpy of Vaporization: 74.835 kJ/mol; (19)Boiling Point: 460.104 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)Cc1cc(C)cc(c1O)n2nc3ccccc3n2
(2)InChI: InChI=1/C17H17N3O/c1-11(2)8-13-9-12(3)10-16(17(13)21)20-18-14-6-4-5-7-15(14)19-20/h4-7,9-10,21H,1,8H2,2-3H3
(3)InChIKey: HLTVXJZFIFRXDB-UHFFFAOYAE