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Basic Information
CAS No.: 25245-33-4
Name: 1-IODO-2,3-DIMETHOXYBENZENE
Molecular Structure:
Molecular Structure of 25245-33-4 (1-IODO-2,3-DIMETHOXYBENZENE)
Formula: C8H9IO2
Molecular Weight: 264.063
Synonyms: 3-Iodoveratrole;2,3-Dimethoxyiodobenzene;2,3-Dimethoxy-1-iodobenzene;1-Iodo-2,3-dimethoxybenzene;
Density: 1.655 g/cm3
Melting Point: 43-45 °C
Boiling Point: 274.5 °C at 760 mmHg
Flash Point: 119.8 °C
PSA: 18.46000
LogP: 2.30840
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Specification

The Benzene, 1-iodo-2, 3-dimethoxy-, with the CAS registry number 25245-33-4, is also known as 2, 3-Dimethoxyiodobenzene. This chemical's molecular formula is C8H9IO2 and molecular weight is 264.06. What's more, its IUPAC name is 1-Iodo-2, 3-dimethoxybenzene.

Physical properties about Benzene, 1-iodo-2, 3-dimethoxy- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.09; (6)ACD/BCF (pH 7.4): 91.09; (7)ACD/KOC (pH 5.5): 879.43; (8)ACD/KOC (pH 7.4): 879.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 52.51 cm3; (15)Molar Volume: 159.5 cm3; (16)Polarizability: 20.81×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.655 g/cm3; (19)Flash Point: 119.8 °C; (20)Enthalpy of Vaporization: 49.23 kJ/mol; (21)Boiling Point: 274.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00901 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc(OC)c1OC
(2) InChI: InChI=1/C8H9IO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3
(3) InChIKey: CAVUOSIEYKUTNJ-UHFFFAOYAX