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| CAS No.: | 152937-04-7 |
|---|---|
| Name: | 2-BROMO-6-FLUOROBENZOTHIAZOLE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H3BrFNS |
| Molecular Weight: | 232.076 |
| Synonyms: | 2-Bromo-6-fluorobenzothiazole; |
| Density: | 1.832 g/cm3 |
| Boiling Point: | 298.332 °C at 760 mmHg |
| Flash Point: | 134.227 °C |
| Appearance: | pale yellow brown powder |
| PSA: | 41.13000 |
| LogP: | 3.19790 |
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- Total:36 Page 1 of 1 1
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Specification
The Benzothiazole,2-bromo-6-fluoro- is an organic compound with the molecular formula C7H3BrFNS. Its CAS registry number is 152937-04-7. The IUPAC name of this chemical is called 2-Bromo-6-fluoro-1,3-benzothiazole. What's more, the molecular weight of this chemical is 232.07.
Physical properties about Benzothiazole,2-bromo-6-fluoro- are: (1)ACD/LogP: 3.14; (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): 338; (6)ACD/BCF (pH 7.4): 338; (7)ACD/KOC (pH 5.5): 2250; (8)ACD/KOC (pH 7.4): 2250; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 48.255 cm3; (15)Molar Volume: 126.647 cm3; (16)Polarizability: 19.13×10-24 cm3; (17)Surface Tension: 55.731 dyne/cm; (18)Density: 1.832 g/cm3; (19)Flash Point: 134.227 °C; (20)Enthalpy of Vaporization: 51.671 kJ/mol; (21)Boiling Point: 298.332 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2nc(Br)sc2c1
(2) InChI: InChI=1/C7H3BrFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
(3) InChIKey: GIANOUBNTGQAID-UHFFFAOYAE