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| CAS No.: | 204707-42-6 |
|---|---|
| Name: | 4-fluoro-2-methoxybenzoic acid methyl ester |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H9FO3 |
| Molecular Weight: | 184.167 |
| Synonyms: | 4-Fluoro-2-methoxybenzoic acid; |
| EINECS: | 200-258-5 |
| Density: | 1.184 g/cm3 |
| Melting Point: | 134-136 °C |
| Boiling Point: | 231.646 °C at 760 mmHg |
| Flash Point: | 91.331 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 35.53000 |
| LogP: | 1.62090 |
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Specification
The 4-fluoro-2-methoxybenzoic acid methyl ester, with the CAS registry number of 204707-42-6, is also known as 4-Fluoro-2-methoxybenzoic acid. It belongs to the product categories of Aromatic Esters; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. Its molecular formula is C9H9FO3 and molecular weight is 184.16. What's more, its systematic name is Methyl 4-fluoro-2-methoxybenzoate.
Physical properties about the 4-fluoro-2-methoxybenzoic acid methyl ester are: (1)ACD/LogP: 1.63; (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): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 362; (8)ACD/KOC (pH 7.4): 362; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 44.698 cm3; (15)Molar Volume: 155.538 cm3; (16)Surface Tension: 34.121 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 91.331 °C; (19)Enthalpy of Vaporization: 46.831 kJ/mol; (20)Boiling Point: 231.646 °C at 760 mmHg; (21)Vapour Pressure: 0.062 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(OC)c(C(=O)OC)cc1
(2) InChI: InChI=1/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
(3) InChIKey: LJUAEPNTXDJBRX-UHFFFAOYAA