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| CAS No.: | 14659-60-0 |
|---|---|
| Name: | Benzoic acid，4-fluoro-2,6-dimethyl-， methyl ester |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H11FO2 |
| Molecular Weight: | 182.195 |
| Synonyms: | 4-fluoro-2,6-dimethyl-Benzoic acid methyl ester; |
| Density: | 1.11 g/cm3 |
| Melting Point: | 29-30℃ |
| Boiling Point: | 221.71 °C at 760 mmHg |
| Flash Point: | 85.572 °C |
| Appearance: | Reddish brown viscous liquid |
| PSA: | 26.30000 |
| LogP: | 2.22910 |
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Specification
This chemical is called Methyl 4-fluoro-2,6-dimethylbenzoate, and it can also be named as Benzoic Acid, 4-Fluoro-2,6-Dimethyl-, Methyl Ester. With the molecular formula of C10H11FO2, its molecular weight is 182.19. The CAS registry number of this chemical is 14659-60-0.
Other characteristics of the Methyl 4-fluoro-2,6-dimethylbenzoate can be summarised as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.61; (6)ACD/BCF (pH 7.4): 158.61; (7)ACD/KOC (pH 5.5): 1308.02; (8)ACD/KOC (pH 7.4): 1308.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 47.66 cm3; (15)Molar Volume: 164 cm3; (16)Polarizability: 18.89×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 45.82 kJ/mol; (21)Boiling Point: 221.7 °C at 760 mmHg; (22)Vapour Pressure: 0.106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(F)cc(C)c1C(=O)OC
2.InChI: InChI=1/C10H11FO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3
3.InChIKey: GFXGMGWQPPNCFM-UHFFFAOYAJ