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CAS No.: | 128272-26-4 |
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Name: | METHYL 2-FLUORO-4-METHOXYBENZOATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H9FO3 |
Molecular Weight: | 184.167 |
Synonyms: | METHYL 2-FLUORO-4-METHOXYBENZOATE;RARECHEM AL BF 0456 |
Density: | 1.184 g/cm3 |
Boiling Point: | 250.1 °C at 760 mmHg |
Flash Point: | 102.1 °C |
PSA: | 35.53000 |
LogP: | 1.62090 |
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The Benzoic acid,2-fluoro-4-methoxy-, methyl ester, also known as ZINC12919184, is the organic compound with the formula C9H9FO3. It belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. With the CAS registry number 128272-26-4, its IUPAC name is methyl 2-fluoro-4-methoxybenzoate.
Physical properties of Benzoic acid,2-fluoro-4-methoxy-, methyl ester: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22.11; (5)ACD/BCF (pH 7.4): 22.11; (6)ACD/KOC (pH 5.5): 319.16; (7)ACD/KOC (pH 7.4): 319.16; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.486; (11)Molar Refractivity: 44.69 cm3; (12)Molar Volume: 155.5 cm3; (13)Surface Tension: 34.1 dyne/cm; (14)Density: 1.184 g/cm3; (15)Flash Point: 102.1 °C; (16)Enthalpy of Vaporization: 48.74 kJ/mol; (17)Boiling Point: 250.1 °C at 760 mmHg; (18)Vapour Pressure: 0.022 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)C(=O)OC)F
(2)InChI: InChI=1S/C9H9FO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: ZWXVPCDIGBXITB-UHFFFAOYSA-N