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| CAS No.: | 1003709-80-5 |
|---|---|
| Name: | 2,4-Difluoro-3,5-dimethoxy benzoic acid |
| Molecular Structure: | |
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| Formula: | C9H8F2O4 |
| Molecular Weight: | 218.1542264 |
| Synonyms: | 2,4-Difluoro-3,5-dimethoxy-benzoic acid; |
| Density: | 1.377 g/cm3 |
| Boiling Point: | 363.514 °C at 760 mmHg |
| Flash Point: | 173.647 °C |
| PSA: | 55.76000 |
| LogP: | 1.68020 |
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Specification
The 2,4-Difluoro-3,5-dimethoxy benzoic acid, with the CAS registry number 1003709-80-5, is also known as Benzoic acid, 2,4-difluoro-3,5-dimethoxy-. This chemical's molecular formula is C9H8F2O4 and molecular weight is 218.1542264. What's more, its systematic name is 2,4-Difluoro-3,5-dimethoxy-benzoic acid.
Physical properties about 2,4-Difluoro-3,5-dimethoxy benzoic acid are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.523; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.553; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.76 Å2; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 46.528 cm3; (14)Molar Volume: 158.387 cm3; (15)Polarizability: 18.445×10-24 cm3; (16)Surface Tension: 39.467 dyne/cm; (17)Density: 1.377 g/cm3; (18)Flash Point: 173.647 °C; (19)Enthalpy of Vaporization: 64.317 kJ/mol; (20)Boiling Point: 363.514 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(c(c(c1F)OC)F)C(=O)O
(2) InChI: InChI=1/C9H8F2O4/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3H,1-2H3,(H,12,13)
(3) InChIKey: LLRUPRYHYIFLJS-UHFFFAOYAE