Name: 1196107-73-9
SKU: 1196107-73-9

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Basic Information

Molecular Structure:
CAS No.:	1196107-73-9
Name:	1196107-73-9
Article Data:	1

Formula:	C₂₃H₁₅BrO₂
Molecular Weight:	403.275
Synonyms:	2-bromo-13,13-dimethyl-13H-indeno[1,2-b]anthracene-6,11-dione
Density:	1.5±0.1 g/cm³
Melting Point:	264 °C
Boiling Point:	570.7±49.0 °C at 760 mmHg
Flash Point:	150.1±16.4 °C
PSA:	34.14000
LogP:	5.53080

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Specification

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