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CAS No.: | 5330-52-9 |
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Name: | (4,5-dibromo-2-nitrocyclohexyl)benzene |
Molecular Structure: | |
Formula: | C12H13Br2NO2 |
Molecular Weight: | 363.049 |
Density: | 1.71g/cm3 |
Boiling Point: | 428.7 °C at 760 mmHg |
Flash Point: | 213.1 °C |
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The CAS registry number of (4,5-Dibromo-2-nitro-cyclohexyl)benzene is 5330-52-9. This chemical's molecular formula is C12H13Br2NO2 and molecular weight is 363.0451. What's more, both its IUPAC name and systematic name are the same which is called (4,5-Dibromo-2-nitrocyclohexyl)benzene.
Physical properties about (4,5-Dibromo-2-nitro-cyclohexyl)benzene are: (1)ACD/LogP: 4.03; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 73.89 cm3; (9)Molar Volume: 211.3 cm3; (10)Surface Tension: 53.2 dyne/cm; (11)Density: 1.71 g/cm3; (12)Flash Point: 213.1 °C; (13)Enthalpy of Vaporization: 68.39 kJ/mol; (14)Boiling Point: 428.7 °C at 760 mmHg; (15)Vapour Pressure: 1.48E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC2CC([N+]([O-])=O)C(c1ccccc1)CC2Br
(2) InChI: InChI=1/C12H13Br2NO2/c13-10-6-9(8-4-2-1-3-5-8)12(15(16)17)7-11(10)14/h1-5,9-12H,6-7H2
(3) InChIKey: ZZMHCBQSLIKVAU-UHFFFAOYAP