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Basic Information
CAS No.: 220728-62-1
Name: 4-IODO-2-METHOXYTOLUENE
Article Data: 2
Molecular Structure:
Molecular Structure of 220728-62-1 (4-IODO-2-METHOXYTOLUENE)
Formula: C8H9IO
Molecular Weight: 248.063
Synonyms: 5-Iodo-2-methylanisole;2-Methoxy-4-iodotoluene;
Density: 1.634 g/cm3
Boiling Point: 255.2 °C at 760 mmHg
Flash Point: 108.2 °C
PSA: 9.23000
LogP: 2.60820
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Specification

The Benzene, 4-iodo-2-methoxy-1-methyl-, with the CAS registry number 220728-62-1, is also known as 4-Iodo-2-methoxytoluene. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C8H9IO and molecular weight is 248.0609. What's more, its systematic name is 4-Iodo-2-methoxy-1-methylbenzene.

Physical properties about Benzene, 4-iodo-2-methoxy-1-methyl- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 228.62; (6)ACD/BCF (pH 7.4): 228.62; (7)ACD/KOC (pH 5.5): 1699.26; (8)ACD/KOC (pH 7.4): 1699.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 50.66 cm3; (15)Molar Volume: 151.7 cm3; (16)Polarizability: 20.08×10-24 cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.634 g/cm3; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 47.28 kJ/mol; (21)Boiling Point: 255.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0264 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(OC)c(cc1)C
(2) InChI: InChI=1/C8H9IO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(3) InChIKey: JVKISKVALBFNFA-UHFFFAOYAZ