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Basic Information
CAS No.: 117680-17-8
Name: 2-(IODOMETHYL)FURAN
Article Data: 9
Molecular Structure:
Molecular Structure of 117680-17-8 (2-(IODOMETHYL)FURAN)
Formula: C5H5IO
Molecular Weight: 207.999
Synonyms: 2-(Iodomethyl)furan;2-Furyliodomethane;
Density: 1.937 g/cm3
Boiling Point: 195.8 °C at 760 mmHg
Flash Point: 72.2 °C
PSA: 13.14000
LogP: 2.21460
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Specification

This chemical is called Furan, 2-(iodomethyl)-, and it can also be named as 2-(Iodomethyl)furan. With the molecular formula of C5H5IO, its molecular weight is 207.9971. The CAS registry number of this chemical is 117680-17-8.

Other characteristics of the Furan, 2-(iodomethyl)- can be summarised as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.87; (6)ACD/BCF (pH 7.4): 33.87; (7)ACD/KOC (pH 5.5): 433.2; (8)ACD/KOC (pH 7.4): 433.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 36.43 cm3; (15)Molar Volume: 107.3 cm3; (16)Polarizability: 14.44×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.937 g/cm3; (19)Flash Point: 72.2 °C; (20)Enthalpy of Vaporization: 41.44 kJ/mol; (21)Boiling Point: 195.8 °C at 760 mmHg; (22)Vapour Pressure: 0.576 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: ICc1occc1
2.InChI: InChI=1/C5H5IO/c6-4-5-2-1-3-7-5/h1-3H,4H2
3.InChIKey: LEAZPPLSYMBCRF-UHFFFAOYAD