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74325-03-4

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Basic Information
CAS No.: 74325-03-4
Name: METHYL (E)-3-FLUOROCINNAMATE
Article Data: 20
Molecular Structure:
Molecular Structure of 74325-03-4 (METHYL (E)-3-FLUOROCINNAMATE)
Formula: C10H9FO2
Molecular Weight: 180.179
Synonyms: 2-Propenoicacid, 3-(3-fluorophenyl)-, methyl ester, (E)-;Methyl (E)-m-fluorocinnamate;trans-3-(3-Fluorophenyl)-2-propenoic acid methyl ester;methyl (2E)-3-(3-fluorophenyl)prop-2-enoate;(E)-3-Fluorocinnamic acidmethylester;
Density: 1.165 g/cm3
Boiling Point: 251.738 °C at 760 mmHg
Flash Point: 102.979 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 2.01190
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Specification

The 2-Propenoic acid,3-(3-fluorophenyl)-, methyl ester, (2E)-, with the CAS registry number 74325-03-4, is also known as (E)-3-Fluorocinnamic acidmethylester. It belongs to the product category of Benzene series. This chemical's molecular formula is C10H9FO2 and molecular weight is 180.18. What's more, its systematic name is methyl (2E)-3-(3-fluorophenyl)prop-2-enoate.

Physical properties of 2-Propenoic acid,3-(3-fluorophenyl)-, methyl ester, (2E)- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 425; (8)ACD/KOC (pH 7.4): 425; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 48.544 cm3; (15)Molar Volume: 154.608 cm3; (16)Polarizability: 19.244×10-24 cm3; (17)Surface Tension: 37.218 dyne/cm; (18)Density: 1.165 g/cm3; (19)Flash Point: 102.979 °C; (20)Enthalpy of Vaporization: 48.906 kJ/mol; (21)Boiling Point: 251.738 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc1cc(/C=C/C(=O)OC)ccc1
(2)InChI: InChI=1/C10H9FO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+
(3)InChIKey: FLDMXKIURVHYKV-AATRIKPKBZ