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CAS No.: | 36760-19-7 |
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Name: | 5-BROMO-3-CHLORO-1H-INDAZOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4BrClN2 |
Molecular Weight: | 231.479 |
Synonyms: | 3-Chloro-5-bromoindazole;5-Bromo-3-chloro-1H-indazole;5-Bromo-3-chloroindazole; |
Density: | 1.878 g/cm3 |
Boiling Point: | 368.5 °C at 760 mmHg |
Flash Point: | 176.6 °C |
PSA: | 28.68000 |
LogP: | 2.97880 |
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The 1H-Indazole,5-bromo-3-chloro- is an organic compound with the formula C7H4BrClN2. The IUPAC name of this chemical is 5-bromo-3-chloro-2H-indazole. With the CAS registry number 36760-19-7, the product's categories are Building Blocks; Indazole.
Physical properties about 1H-Indazole,5-bromo-3-chloro- are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.58; (5)ACD/BCF (pH 7.4): 155.5; (6)ACD/KOC (pH 5.5): 1290.05; (7)ACD/KOC (pH 7.4): 1289.38; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.73; (12)Molar Refractivity: 49.2 cm3; (13)Molar Volume: 123.2 cm3; (14)Polarizability: 19.5×10-24cm3; (15)Surface Tension: 65.9 dyne/cm; (16)Density: 1.878 g/cm3; (17)Flash Point: 176.6 °C; (18)Enthalpy of Vaporization: 59.09 kJ/mol; (19)Boiling Point: 368.5 °C at 760 mmHg; (20)Vapour Pressure: 2.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)c(n[nH]2)Cl
(2)InChI: InChI=1/C7H4BrClN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
(3)InChIKey: SWJXMRPKABLFAG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H4BrClN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
(5)Std. InChIKey: SWJXMRPKABLFAG-UHFFFAOYSA-N