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CAS No.: | 351456-45-6 |
---|---|
Name: | 5-CHLORO-3-IODO-1H-INDAZOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4ClIN2 |
Molecular Weight: | 278.48 |
Synonyms: | 5-Chloro-3-iodoindazole; |
Density: | 2.157 g/cm3 |
Boiling Point: | 391.471 °C at 760 mmHg |
Flash Point: | 190.555 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 28.68000 |
LogP: | 2.82090 |
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The 1H-Indazole, 5-chloro-3-iodo-, with the CAS registry number of 351456-45-6, is also known as 5-Chloro-3-iodo-1H-indazole and 5-Chloro-3-iodoindazole. This chemical's molecular formula is C7H4ClIN2 and molecular weight is 278.48. What's more, its IUPAC name is 5-Chloro-3-iodo-2H-indazole.
Physical properties about 1H-Indazole, 5-chloro-3-iodo- are: (1)ACD/LogP: 3.58; (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): 245; (6)ACD/BCF (pH 7.4): 245; (7)ACD/KOC (pH 5.5): 1787; (8)ACD/KOC (pH 7.4): 1786; (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: 21.574×10-24 cm3; (17)Surface Tension: 72.168 dyne/cm; (18)Density: 2.157 g/cm3; (19)Flash Point: 190.555 °C; (20)Enthalpy of Vaporization: 61.604 kJ/mol; (21)Boiling Point: 391.471 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nnc2I
(2) InChI: InChI=1/C7H4ClIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
(3) InChIKey: ZPFBQBOZEDHSGM-UHFFFAOYAJ