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| CAS No.: | 369-30-2 |
|---|---|
| Name: | Methyl 3-fluoro-4-methoxybenzoate |
| Molecular Structure: | |
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| Formula: | C9H9FO3 |
| Molecular Weight: | 184.167 |
| Synonyms: | p-Anisicacid, 3-fluoro-, methyl ester (8CI);Methyl 3-fluoro-4-(methyloxy)benzoate;Methyl 3-fluoro-4-methoxybenzoate; |
| Density: | 1.184 g/cm3 |
| Melting Point: | 70-71℃ |
| Boiling Point: | 250.5 °C at 760 mmHg |
| Flash Point: | 110.2 °C |
| PSA: | 35.53000 |
| LogP: | 1.62090 |
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Specification
The Methyl 3-fluoro-4-methoxybenzoate is an organic compound with the formula C9H9FO3. The systematic name of this chemical is methyl 3-fluoro-4-methoxybenzoate. With the CAS registry number 369-30-2, the product's categories are Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds.
Physical properties about Methyl 3-fluoro-4-methoxybenzoate are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 2.47; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 44.59; (5)ACD/BCF (pH 7.4): 44.59; (6)ACD/KOC (pH 5.5): 527.42; (7)ACD/KOC (pH 7.4): 527.42; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 44.69 cm3; (13)Molar Volume: 155.5 cm3; (14)Polarizability: 17.71×10-24cm3; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 1.184 g/cm3; (17)Flash Point: 110.2 °C; (18)Enthalpy of Vaporization: 50.21 kJ/mol; (19)Boiling Point: 264.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00984 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1OC)C(=O)OC
(2)InChI: InChI=1/C9H9FO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: MIKOKYAREMINFF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H9FO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
(5)Std. InChIKey: MIKOKYAREMINFF-UHFFFAOYSA-N