CAS No.13292-05-2,3-Bromo-9,10-phenanthrenedione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13292-05-2
Name:	3-Bromo-9,10-phenanthrenedione
Article Data:	19

Formula:	C₁₄H₇BrO₂
Molecular Weight:	287.112
Synonyms:	3-Bromophenanthrene-9,10-dione;
Density:	1.638 g/cm³
Melting Point:	267-268℃
Boiling Point:	446.832 °C at 760 mmHg
Flash Point:	162.083 °C
PSA:	34.14000
LogP:	3.49510

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Specification

The 3-Bromo-9, 10-phenanthrenequinone has CAS registry number 13292-05-2. This chemical's molecular formula is C₁₄H₇BrO₂ and molecular weight is 287.10818. What's more, its systematic name is 3-Bromophenanthrene-9, 10-dione.

Physical properties about 3-Bromo-9, 10-phenanthrenequinone are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 544; (6)ACD/BCF (pH 7.4): 544; (7)ACD/KOC (pH 5.5): 3162; (8)ACD/KOC (pH 7.4): 3162; (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: 66.359 cm³; (15)Molar Volume: 175.251 cm³; (16)Polarizability: 26.307×10^-24 cm³; (17)Surface Tension: 59.092 dyne/cm; (18)Density: 1.638 g/cm³; (19)Flash Point: 162.083 °C; (20)Enthalpy of Vaporization: 70.506 kJ/mol; (21)Boiling Point: 446.832 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3ccc1c(c2c(C(=O)C1=O)cccc2)c3
(2) InChI: InChI=1/C14H7BrO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H
(3) InChIKey: OFVPOKPVPJPQAY-UHFFFAOYAX