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| CAS No.: | 683240-76-8 |
|---|---|
| Name: | 5-Bromo-2-chloro-1H-benzimidazole |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H4BrClN2 |
| Molecular Weight: | 231.479 |
| Synonyms: | 5-Bromo-2-chloro-1H-benzimidazole; |
| Density: | 1.878 g/cm3 |
| Melting Point: | 212-213° |
| Boiling Point: | 387.32 °C at 760 mmHg |
| Flash Point: | 188.044 °C |
| PSA: | 28.68000 |
| LogP: | 2.97880 |
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- Total:28 Page 1 of 1 1
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Specification
The CAS registry number of 5-Bromo-2-chloro-1H-benzimidazole is 683240-76-8. This chemical is also named as 5-Bromo-2-chloro-1H-benzimidazole. In addition, its molecular formula is C7H4BrClN2 and molecular weight is 231.4771. Its systematic name is called 6-bromo-2-chloro-1H-benzimidazole.
Physical properties about this chemical are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 206; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 1575; (8)ACD/KOC (pH 7.4): 1030; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.73; (13)Molar Refractivity: 49.205 cm3; (14)Molar Volume: 123.231 cm3; (15)Surface Tension: 65.987 dyne/cm; (16)Density: 1.878 g/cm3; (17)Flash Point: 188.044 °C; (18)Enthalpy of Vaporization: 63.637 kJ/mol; (19)Boiling Point: 387.32 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(nc(Cl)n1)cc2
(2)InChI: InChI=1/C7H4BrClN2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
(3)InChIKey: QVVZVWKGWGFUTA-UHFFFAOYAZ