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199172-01-5

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Basic Information
CAS No.: 199172-01-5
Name: 6-BROMO-3-ETHYL-1H-INDAZOLE
Article Data: 9
Molecular Structure:
Molecular Structure of 199172-01-5 (6-BROMO-3-ETHYL-1H-INDAZOLE)
Formula: C9H9BrN2
Molecular Weight: 225.0852
Synonyms: 6-Bromo-3-ethyl-1H-indazole;
Density: 1.562 g/cm3
Boiling Point: 350.923 °C at 760 mmHg
Flash Point: 166.033 °C
PSA: 28.68000
LogP: 2.88780
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Specification

The 1H-Indazole,6-bromo-3-ethyl-, with the CAS registry number 199172-01-5, is also known as 6-Bromo-3-ethyl-1H-indazole. This chemical's molecular formula is C9H9BrN2 and molecular weight is 225.0852. What's more, its IUPAC name is called 6-Bromo-3-ethyl-2H-indazole.

Physical properties about 1H-Indazole,6-bromo-3-ethyl- are: (1) ACD/LogP: 3.12; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 139; (6) ACD/BCF (pH 7.4): 139; (7) ACD/KOC (pH 5.5): 1191; (8) ACD/KOC (pH 7.4): 1191; (9)#H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 28.68 Å2; (13) Index of Refraction: 1.671; (14) Molar Refractivity: 53.859 cm3; (15) Molar Volume: 144.097 cm3; (16) Surface Tension: 54.739 dyne/cm; (17) Density: 1.562 g/cm3; (18) Flash Point: 166.033 °C; (19) Enthalpy of Vaporization: 57.206 kJ/mol; (20) Boiling Point: 350.923 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1c2ccc(cc2[nH]n1)Br
(2) InChI: InChI=1/C9H9BrN2/c1-2-8-7-4-3-6(10)5-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
(3) InChIKey: XZRBYJWQQQBHLP-UHFFFAOYAO