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187932-50-9

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Basic Information
CAS No.: 187932-50-9
Name: 6-bromo-3'-nitroflavone
Article Data: 3
Molecular Structure:
Molecular Structure of 187932-50-9 (6-bromo-3'-nitroflavone)
Formula: C15H8BrNO4
Molecular Weight: 346.13
Synonyms: 6-Bromo-3'-nitroflavone;
Density: 1.67 g/cm3
Boiling Point: 490.874 °C at 760 mmHg
Flash Point: 250.672 °C
PSA: 76.03000
LogP: 4.65390
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    4H-1-Benzopyran-4-one, 6-bromo-2-(3-nitrophenyl)-

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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Specification

The 6-Bromo-2-(3-nitrophenyl)-4H-chromen-4-one, with the CAS registry number 187932-50-9, is also known as 6-Bromo-3'-nitroflavone. This chemical's molecular formula is C15H8BrNO4 and molecular weight is 346.13. What's more, its systematic name is 6-Bromo-2-(3-nitrophenyl)-4H-chromen-4-one. 

Physical properties of 6-Bromo-2-(3-nitrophenyl)-4H-chromen-4-one are: (1)ACD/LogP: 4.058; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 714.39; (6)ACD/BCF (pH 7.4): 714.39; (7)ACD/KOC (pH 5.5): 3841.02; (8)ACD/KOC (pH 7.4): 3841.02; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 78.442 cm3; (15)Molar Volume: 207.3 cm3; (16)Polarizability: 31.097×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.67 g/cm3; (19)Flash Point: 250.672 °C; (20)Enthalpy of Vaporization: 75.748 kJ/mol; (21)Boiling Point: 490.874 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cccc(C=2Oc1ccc(Br)cc1C(=O)C=2)c3
(2)Std. InChI: InChI=1S/C15H8BrNO4/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20/h1-8H
(3)Std. InChIKey: IPHSQMSRIWZULE-UHFFFAOYSA-N