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Benzofuran,2,3-dihydro-3-(iodomethyl)-

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Name

Benzofuran,2,3-dihydro-3-(iodomethyl)-

EINECS N/A
CAS No. 78739-83-0 Density 1.74 g/cm3
PSA 9.23000 LogP 2.59760
Solubility N/A Melting Point N/A
Formula C9H9IO Boiling Point 281.5 °C at 760 mmHg
Molecular Weight 260.074 Flash Point 124.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 78739-83-0 (2,3-DIHYDRO-3-(IODOMETHYL)-BENZOFURAN) Hazard Symbols N/A
Synonyms

2,3-Dihydro-3-(iodomethyl)-benzofuran;

Article Data 1

Benzofuran,2,3-dihydro-3-(iodomethyl)- Specification

The Benzofuran,2,3-dihydro-3-(iodomethyl)-, with the CAS registry number 78739-83-0, is also known as 2,3-Dihydro-3-(iodomethyl)-benzofuran. This chemical's molecular formula is C9H9IO and molecular weight is 260.07. What's more, its systematic name is called 3-(Iodomethyl)-2,3-dihydro-1-benzofuran.

Physical properties about Benzofuran,2,3-dihydro-3-(iodomethyl)- are: (1)ACD/LogP: 3.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.49; (6)ACD/BCF (pH 7.4): 128.49; (7)ACD/KOC (pH 5.5): 1124.96; (8)ACD/KOC (pH 7.4): 1124.96; (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: 1.628; (14)Molar Refractivity: 53.08 cm3; (15)Molar Volume: 149.4 cm3; (16)Polarizability: 21.04×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.74 g/cm3; (19)Flash Point: 124.1 °C; (20)Enthalpy of Vaporization: 49.94 kJ/mol; (21)Boiling Point: 281.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00604 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICC1c2ccccc2OC1
(2) InChI: InChI=1/C9H9IO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,5-6H2
(3) InChIKey: XGYVNSZLKXZJCL-UHFFFAOYAE

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