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CAS No.: | 124691-76-5 |
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Name: | 5,6-DICHLORO-1H-INDAZOLE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4Cl2N2 |
Molecular Weight: | 187.03 |
Synonyms: | NSC 38855; |
Density: | 1.572 g/cm3 |
Melting Point: | 204 °C |
Boiling Point: | 347.308 °C at 760 mmHg |
Flash Point: | 194.698 °C |
PSA: | 28.68000 |
LogP: | 2.86970 |
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5,6-Dichloroindazole, with the CAS registry number 124691-76-5, is also named as 1H-Indazole, 5,6-dichloro-. This chemical's molecular formula is C7H4Cl2N2 and molecular weight is 187.03. What's more, its systematic name is 5,6-Dichloro-1H-indazole.
Physical properties of 5,6-Dichloroindazole are: (1)ACD/LogP: 3.108; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.62; (6)ACD/BCF (pH 7.4): 135.62; (7)ACD/KOC (pH 5.5): 1169.32; (8)ACD/KOC (pH 7.4): 1169.25; (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: 1.708; (14)Molar Refractivity: 46.41 cm3; (15)Molar Volume: 118.997 cm3; (16)Polarizability: 18.398×10-24cm3; (17)Surface Tension: 64.02 dyne/cm; (18)Density: 1.572 g/cm3; (19)Flash Point: 194.698 °C; (20)Enthalpy of Vaporization: 56.819 kJ/mol; (21)Boiling Point: 347.308 °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(cc1Cl)nnc2
(2)Std. InChI: InChI=1S/C7H4Cl2N2/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,(H,10,11)
(3)Std. InChIKey: MCHJBZZQBWIBOK-UHFFFAOYSA-N