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CAS No.: | 635712-44-6 |
---|---|
Name: | 5-BROMO-7-CHLORO-1H-INDAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H4BrClN2 |
Molecular Weight: | 231.479 |
Synonyms: | 5-Bromo-7-chloroindazole;1H-Indazole, 5-bromo-7-chloro-; |
Density: | 1.878 g/cm3 |
Melting Point: | ca 205℃ |
Boiling Point: | 364.1 °C at 760 mmHg |
Flash Point: | 174 °C |
PSA: | 28.68000 |
LogP: | 2.97880 |
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The 5-Bromo-7-chloro-1H-indazole, with the CAS registry number 635712-44-6, is also called 1H-Indazole, 5-bromo-7-chloro-. And the molecular formula of the chemical is C7H4BrClN2.
The characteristics of 5-Bromo-7-chloro-1H-indazole are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.55; (6)ACD/BCF (pH 7.4): 142.47; (7)ACD/KOC (pH 5.5): 1211.73; (8)ACD/KOC (pH 7.4): 1211.1; (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: 1.73; (14)Molar Refractivity: 49.2 cm3; (15)Molar Volume: 123.2 cm3; (16)Polarizability: 19.5×10-24cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.878 g/cm3; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 58.62 kJ/mol; (21)Boiling Point: 364.1 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2cnnc2c(Cl)c1
(2)InChI: InChI=1/C7H4BrClN2/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H,(H,10,11)
(3)InChIKey: IQSRPQLSDHXAIZ-UHFFFAOYAG