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677777-44-5

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Basic Information
CAS No.: 677777-44-5
Name: 5-iodo-2-methoxybenzonitrile
Article Data: 2
Molecular Structure:
Molecular Structure of 677777-44-5 (5-iodo-2-methoxybenzonitrile)
Formula: C8H6INO
Molecular Weight: 259.046
Synonyms: 4-Iodo-2-methoxybenzonitrile;
Density: 1.82 g/cm3
Boiling Point: 316.5 °C at 760 mmHg
Flash Point: 145.2 °C
PSA: 33.02000
LogP: 2.17148
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Specification

The Benzonitrile,4-iodo-2-methoxy-, with the CAS registry number 677777-44-5, is also known as 5-Iodo-2-methoxybenzenecarbonitrile. It belongs to the product categories of Nitrile; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Nitriles. This chemical's molecular formula is C8H6INO and molecular weight is 259.0438. Its systematic name is called 5-iodo-2-methoxy-benzonitrile.

Physical properties of Benzonitrile,4-iodo-2-methoxy-: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.63; (7)Molar Refractivity: 50.6 cm3; (8)Molar Volume: 142.2 cm3; (9)Surface Tension: 54 dyne/cm; (10)Density: 1.82 g/cm3; (11)Flash Point: 145.2 °C; (12)Enthalpy of Vaporization: 55.78 kJ/mol; (13)Boiling Point: 316.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00041 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1C#N)I
(2)InChI: InChI=1/C8H6INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
(3)InChIKey: LKHLIOQZTDZHJU-UHFFFAOYAO