2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione CAS NO.1196107-73-9

1.Introduction of 1196107-73-9

2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracen has CAS registry number as 1196107-73-9. Its synonums are 2-b

1.Introduction of 1196107-73-9

2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracen has CAS registry number as 1196107-73-9. Its synonums are 2-bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione; 2-bromo-13,13-dimethyl-13H 22 -indeno[1,2-b]anthracene-6,1 1-dione. Its molecular formula is C23H15BrO2 and molecular weight is 403.268.

2.Properties of 1196107-73-9

ACD/LogP: 7.13±0.53
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.13
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 5.5): 155601.70
ACD/BCF (pH 7.4): 155601.70
ACD/KOC (pH 5.5): 181142.70
ACD/KOC (pH 7.4): 181142.70
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
Polar Surface Area: 34.14?²
Index of Refraction: 1.682
Molar Refractivity: 103.2±0.3 cm³
Molar Volume: 272.6±3.0 cm³
Polarizability: 40.9±0.5 10-24cm³
Surface Tension: 54.7±3.0 dyne/cm
Density: 1.5±0.1 g/cm³
Flash Point: 150.1±16.4 °C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Boiling Point: 570.7±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C

3.Structure Descriptors of 1196107-73-9

(1)InChI: InChI=1S/C23H15BrO2/c1-23(2)19-9-12(24)7-8-13(19)16-10-17-18(11-20(16)23)22(26)15-6-4-3-5-14(15)21(17)25/h3-11H,1-2H3
(2)InChIKey: NREMKCAHBDRWFB-UHFFFAOYSA-N
(3)Canonical SMILES : CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C