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1150618-47-5

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Basic Information
CAS No.: 1150618-47-5
Name: 3-Iodo-6-methoxy-2-methyl-2H-indazole
Molecular Structure:
Molecular Structure of 1150618-47-5 (3-Iodo-6-methoxy-2-methyl-2H-indazole)
Formula: C9H9IN2O
Molecular Weight: 288.085
Density: 1.82 g/cm3
Boiling Point: 383.976 °C at 760 mmHg
Flash Point: 186.022 °C
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Specification

The CAS registry number of 3-Iodo-6-methoxy-2-methyl-2H-indazole is 1150618-47-5. This chemical's molecular formula is C9H9IN2O and molecular weight is 288.085. What's more, its systematic name is called 3-Iodo-6-methoxy-2-methyl-indazole.

Physical properties about 3-Iodo-6-methoxy-2-methyl-2H-indazole are: (1)ACD/LogP: 3.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.065; (4)ACD/LogD (pH 7.4): 3.065; (5)ACD/BCF (pH 5.5): 125.693; (6)ACD/BCF (pH 7.4): 125.695; (7)ACD/KOC (pH 5.5): 1107.371; (8)ACD/KOC (pH 7.4): 1107.393; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 59.603 cm3; (15)Molar Volume: 158.266 cm3; (16)Polarizability: 23.628×10-24 cm3; (17)Surface Tension: 46.37 dyne/cm; (18)Density: 1.82 g/cm3; (19)Flash Point: 186.022 °C; (20)Enthalpy of Vaporization: 60.783 kJ/mol; (21)Boiling Point: 383.976 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn1c(c2ccc(cc2n1)OC)I
(2) InChI: InChI=1/C9H9IN2O/c1-12-9(10)7-4-3-6(13-2)5-8(7)11-12/h3-5H,1-2H3
(3) InChIKey: QJRJZDWBCPFRAN-UHFFFAOYAB