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5-Bromo-3,7-dimethyl-1H-indazole

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Name

5-Bromo-3,7-dimethyl-1H-indazole

EINECS N/A
CAS No. 1031417-71-6 Density 1.564 g/cm3
PSA 28.68000 LogP 2.94220
Solubility N/A Melting Point N/A
Formula C9H9BrN2 Boiling Point 357.2 °C at 760 mmHg
Molecular Weight 225.088 Flash Point 169.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1031417-71-6 (5-bromo-3,7-dimethyl-1H-indazole) Hazard Symbols N/A
Synonyms

5-Bromo-3,7-dimethyl-1H-indazole;

Article Data 3

5-Bromo-3,7-dimethyl-1H-indazole Specification

The 5-Bromo-3,7-dimethyl-1H-indazole, with the CAS registry number 1031417-71-6, is also known as 1H-Indazole, 5-bromo-3,7-dimethyl-. This chemical's molecular formula is C9H9BrN2 and molecular weight is 225.09. Its systematic name is called 5-bromo-3,7-dimethyl-1H-indazole.

Physical properties about this chemical are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.79; (6)ACD/BCF (pH 7.4): 274.8; (7)ACD/KOC (pH 5.5): 1938.34; (8)ACD/KOC (pH 7.4): 1938.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 53.95 cm3; (14)Molar Volume: 143.8 cm3; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.564 g/cm3; (17)Flash Point: 169.8 °C; (18)Enthalpy of Vaporization: 57.88 kJ/mol; (19)Boiling Point: 357.2 °C at 760 mmHg; (20)Vapour Pressure: 5.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc2c1[nH]nc2C)Br
(2)InChI: InChI=1/C9H9BrN2/c1-5-3-7(10)4-8-6(2)11-12-9(5)8/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: XQNOSHGIULZYET-UHFFFAOYAN

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