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4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene

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Name

4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene

EINECS N/A
CAS No. 161436-20-0 Density 1.056 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C11H13FO2 Boiling Point 258.073 °C at 760 mmHg
Molecular Weight 196.221 Flash Point 117.058 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 161436-20-0 (Benzene,4-[(2E)-3-fluoro-2-propen-1-yl]-1,2-dimethoxy-) Hazard Symbols N/A
Synonyms

Benzene,4-[(2E)-3-fluoro-2-propenyl]-1,2-dimethoxy- (9CI);Benzene,4-(3-fluoro-2-propenyl)-1,2-dimethoxy-, (E)-;

 

4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene Specification

The 4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene, with the CAS registry number 161436-20-0, is also known as Benzene,4-(3-fluoro-2-propenyl)-1,2-dimethoxy-, (E)-. This chemical's molecular formula is C11H13FO2 and molecular weight is 196.22. What's more, its systematic name is 4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene.

Physical properties of 4-[(2E)-3-Fluoro-2-propen-1-yl]-1,2-dimethoxybenzene are: (1)ACD/LogP: 2.845; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.54; (6)ACD/BCF (pH 7.4): 85.54; (7)ACD/KOC (pH 5.5): 840.76; (8)ACD/KOC (pH 7.4): 840.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 54.014 cm3; (15)Molar Volume: 185.824 cm3; (16)Polarizability: 21.413×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 117.058 °C; (20)Enthalpy of Vaporization: 47.564 kJ/mol; (21)Boiling Point: 258.073 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1OC)C/C=C/F
(2)Std. InChI: InChI=1S/C11H13FO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3,5-8H,4H2,1-2H3/b7-3+
(3)Std. InChIKey: AENOPJRDPBKHDO-XVNBXDOJSA-N 

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