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2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
1.Introduction of 23449-08-3
2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine has CAS registry number of 23449-08-3. Its synonym is 1,3,5-Triazi
1.Introduction of 23449-08-3
2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine has CAS registry number of 23449-08-3. Its synonym is 1,3,5-Triazine, 2-(4-bromophenyl)-4,6-diphenyl-. It is a kind of white crystal powder with purity of 99.0%. Its molecular formula is C21H14BrN3. Its molecular weight is 388.25996 .
2.Properties of 23449-08-3
ACD/LogP: 6.483
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 6.48
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 5.5): 49761.80
ACD/BCF (pH 7.4): 49762.62
ACD/KOC (pH 5.5): 80097.38
ACD/KOC (pH 7.4): 80098.70
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
Polar Surface Area: 38.67?2
Index of Refraction: 1.646
Molar Refractivity: 101.993 cm3
Molar Volume: 281.143 cm3
Polarizability: 40.433 10-24cm3
Surface Tension: 53.4799995422363 dyne/cm
Density: 1.381 g/cm3
Flash Point: 300.862 °C
Enthalpy of Vaporization: 82.799 kJ/mol
Boiling Point: 573.863 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 23449-08-3
(1)InChI: InChI=1S/C21H14BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H
(2)InChIKey: AYHGAQGOMUQMTR-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
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