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| CAS No.: | 850197-72-7 |
|---|---|
| Name: | 6-BROMO-5-NITRO-ISOQUINOLINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H5BrN2O2 |
| Molecular Weight: | 253.055 |
| Synonyms: | 6-Bromo-5-nitroisoquinoline; |
| Density: | 1.747 g/cm3 |
| Boiling Point: | 356.1 °C at 760 mmHg |
| Flash Point: | 169.2 °C |
| PSA: | 58.71000 |
| LogP: | 3.42870 |
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- Total:34 Page 1 of 1 1
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Specification
This chemical is called 6-Bromo-5-nitroisoquinoline, and it can also be named as 6-bromo-5-nitro-isoquinoline. With the molecular formula of C9H5BrN2O2, its molecular weight is 253.05. The CAS registry number of this chemical is 850197-72-7.
Other characteristics of the 6-Bromo-5-nitroisoquinoline can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rue of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å2; (9)Index of Refraction: 1.707; (10)Molar Refractivity: 56.42 cm3; (11)Molar Volume: 144.7 cm3; (12)Polarizability: 22.36×10-24 cm3; (13)Surface Tension: 65 dyne/cm; (14)Density: 1.747 g/cm3; (15)Flash Point: 169.2 °C; (16)Enthalpy of Vaporization: 57.77 kJ/mol; (17)Boiling Point: 356.1 °C at 760 mmHg; (18)Vapour Pressure: 6.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(c2c1cncc2)[N+](=O)[O-])Br
2.InChI: InChI=1/C9H5BrN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H
3.InChIKey: COTVYJVDXKFNRB-UHFFFAOYAJ