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CAS No.: | 256518-97-5 |
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Name: | 1H-BENZIMIDAZOLE, 2-CHLORO-5-IODO- |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4ClIN2 |
Molecular Weight: | 278.48 |
Synonyms: | 1H-Benzimidazole,2-chloro-5-iodo- (9CI); |
Density: | 2.157 g/cm3 |
Boiling Point: | 409.74 °C at 760 mmHg |
Flash Point: | 201.604 °C |
PSA: | 28.68000 |
LogP: | 2.82090 |
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The 1H-Benzimidazole,2-chloro-6-iodo, with the CAS registry number 256518-97-5, is also known as 1H-Benzimidazole, 2-chloro-5-iodo. This chemical's molecular formula is C7H4ClIN2 and molecular weight is 278.4775. What's more, its systematic name is 2-chloro-6-iodo-1H-benzimidazole.
Physical properties about 1H-Benzimidazole,2-chloro-6-iodo are: (1)ACD/LogP: 3.10; (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): 134; (6)ACD/BCF (pH 7.4): 129; (7)ACD/KOC (pH 5.5): 1156; (8)ACD/KOC (pH 7.4): 1112; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 54.422 cm3; (15)Molar Volume: 129.119 cm3; (16)Polarizability: 21.574×10-24cm3; (17)Surface Tension: 72.168 dyne/cm; (18)Density: 2.157 g/cm3; (19)Flash Point: 201.604 °C; (20)Enthalpy of Vaporization: 66.196 kJ/mol; (21)Boiling Point: 409.74 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1I)nc([nH]2)Cl
(2) InChI: InChI=1/C7H4ClIN2/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,(H,10,11)
(3) InChIKey: YWAUZXYXCAWEDF-UHFFFAOYAE