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865156-81-6

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Basic Information
CAS No.: 865156-81-6
Name: 1H-Indazole,6-bromo-1-(3-methoxypropyl)-3-methyl-
Article Data: 2
Molecular Structure:
Molecular Structure of 865156-81-6 (1H-Indazole,6-bromo-1-(3-methoxypropyl)-3-methyl-)
Formula: C12H15BrN2O
Molecular Weight: 283.168
Synonyms: 6-Bromo-1-(3-methoxypropyl)-3-methyl-1H-indazole;
Density: 1.4g/cm3
Boiling Point: 374.4 °C at 760 mmHg
Flash Point: 180.2 °C
PSA: 27.05000
LogP: 3.14370
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Specification

The 6-Bromo-1-(3-methoxypropyl)-3-methyl-1H-indazole with cas registry number of 865156-81-6, has the systematic name of 6-bromo-1-(3-methoxypropyl)-3-methyl-1H-indazole. And it is also named 1H-Indazole,6-bromo-1-(3-methoxypropyl)-3-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.96; (6)ACD/BCF (pH 7.4): 186.97; (7)ACD/KOC (pH 5.5): 1471.33; (8)ACD/KOC (pH 7.4): 1471.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 68.33 cm3; (15)Molar Volume: 201.5 cm3; (16)Polarizability: 27.08×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Enthalpy of Vaporization: 59.74 kJ/mol; (19)Vapour Pressure: 1.8E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1ccc2c(c1)n(nc2C)CCCOC;
(2)InChI: InChI=1/C12H15BrN2O/c1-9-11-5-4-10(13)8-12(11)15(14-9)6-3-7-16-2/h4-5,8H,3,6-7H2,1-2H3;
(3)InChIKey: ZYIYWLFVGBFSJC-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C12H15BrN2O/c1-9-11-5-4-10(13)8-12(11)15(14-9)6-3-7-16-2/h4-5,8H,3,6-7H2,1-2H3;
(5)Std. InChIKey: ZYIYWLFVGBFSJC-UHFFFAOYSA-N