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Name |
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione |
EINECS | N/A |
CAS No. | 1196107-73-9 | Density | 1.5±0.1 g/cm3 |
PSA | 34.14000 | LogP | 5.53080 |
Solubility | N/A | Melting Point |
264 °C |
Formula | C23H15BrO2 | Boiling Point | 570.7±49.0 °C at 760 mmHg |
Molecular Weight | 403.275 | Flash Point | 150.1±16.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-bromo-13,13-dimethyl-13H-indeno[1,2-b]anthracene-6,11-dione |
Article Data | 1 |
The 2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione, with the CAS registry number 1196107-73-9, is also known as 6H-Indeno[1,2-b]anthracene-6,11(13H)-dione, 2-bromo-13,13-dimethyl-. This chemical's molecular formula is C23H15BrO2 and molecular weight is 403.27. What's more, its systematic name is 2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione.
Physical properties of 2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione are: (1)ACD/LogP: 7.13±0.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 7.13; (5)ACD/BCF (pH 5.5): 155601.70; (6)ACD/BCF (pH 7.4): 155601.70; (7)ACD/KOC (pH 5.5): 181142.70; (8)ACD/KOC (pH 7.4): 181142.70; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 103.2±0.3 cm3; (15)Molar Volume: 272.6±3.0 cm3; (16)Polarizability: 40.9±0.5×10-24cm3; (17)Surface Tension: 54.7±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 150.1±16.4 °C; (20)Enthalpy of Vaporization: 85.6±3.0 kJ/mol; (21)Boiling Point: 570.7±49.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(c2cc(ccc2-c3c1cc4c(c3)C(=O)c5ccccc5C4=O)Br)C
(2)Std. 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
(3)Std. InChIKey: NREMKCAHBDRWFB-UHFFFAOYSA-N