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| CAS No.: | 885521-88-0 |
|---|---|
| Name: | 6-BROMO-3-IODO (1H)INDAZOLE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C7H4BrIN2 |
| Molecular Weight: | 322.931 |
| Synonyms: | 6-Bromo-3-iodo-1H-indazole; |
| Density: | 2.422 g/cm3 |
| Boiling Point: | 413.076 °C at 760 mmHg |
| Flash Point: | 203.621 °C |
| PSA: | 28.68000 |
| LogP: | 2.93000 |
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Specification
The 6-Bromo-3-iodoindazole, with the CAS registry number 885521-88-0, is also known as 1H-Indazole, 6-bromo-3-iodo-. This chemical's molecular formula is C7H4BrIN2 and molecular weight is 322.93. What's more, its systematic name is 6-Bromo-3-iodo-1H-indazole.
Physical properties of 6-Bromo-3-iodoindazole are: (1)ACD/LogP: 3.923; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 564.68; (6)ACD/BCF (pH 7.4): 564.48; (7)ACD/KOC (pH 5.5): 3245.96; (8)ACD/KOC (pH 7.4): 3244.77; (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: 1.804; (14)Molar Refractivity: 57.217 cm3; (15)Molar Volume: 133.353 cm3; (16)Polarizability: 22.683×10-24cm3; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 2.422 g/cm3; (19)Flash Point: 203.621 °C; (20)Enthalpy of Vaporization: 63.994 kJ/mol; (21)Boiling Point: 413.076 °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(cc1Br)[nH]nc2I
(2)Std. InChI: InChI=1S/C7H4BrIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
(3)Std. InChIKey: POXUFQBYDQCUFO-UHFFFAOYSA-N