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1H-Indazole,6-bromo-4-fluoro-

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Name

1H-Indazole,6-bromo-4-fluoro-

EINECS
CAS No. 885520-23-0 Density 1.862 g/cm3
Solubility Melting Point
Formula C7H4BrFN2 Boiling Point 331.275 °C at 760 mmHg
Molecular Weight 215.02 Flash Point 154.15 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 885520-23-0 (1H-Indazole,6-bromo-4-fluoro-) Hazard Symbols
Synonyms

6-bromo-4-fluoro-1H-indazole;

 

1H-Indazole,6-bromo-4-fluoro- Specification

The 1H-Indazole,6-bromo-4-fluoro- has the CAS registry number 885520-23-0. This chemical's molecular formula is C7H4BrFN2 and molecular weight is 215.02. What's more, its systematic name is 6-bromo-4-fluoro-1H-indazole.

Physical properties of 1H-Indazole,6-bromo-4-fluoro- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.584; (4)ACD/LogD (pH 7.4): 2.584; (5)ACD/BCF (pH 5.5): 54.152; (6)ACD/BCF (pH 7.4): 54.151; (7)ACD/KOC (pH 5.5): 606.086; (8)ACD/KOC (pH 7.4): 606.073; (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: 1.693; (14)Molar Refractivity: 44.304 cm3; (15)Molar Volume: 115.49 cm3; (16)Polarizability: 17.563×10-24 cm3; (17)Surface Tension: 60.79 dyne/cm; (18)Density: 1.862 g/cm3; (19)Flash Point: 154.15 °C; (20)Enthalpy of Vaporization: 55.116 kJ/mol; (21)Boiling Point: 331.275 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1c(cc(c2c1[nH]nc2)F)Br
(2)InChI: InChI=1/C7H4BrFN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
(3)InChIKey: IHCPAAHPKILIIC-UHFFFAOYAS

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