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| CAS No.: | 886498-74-4 |
|---|---|
| Name: | 3,5-DIFLUORO-4-METHOXYPHENYLACETIC ACID |
| Molecular Structure: | |
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| Formula: | C9H8F2O3 |
| Molecular Weight: | 202.158 |
| Synonyms: | 3,5-Difluoro-4-methoxyphenylaceticacid; |
| Density: | 1.354 g/cm3 |
| Boiling Point: | 304.7 °C at 760 mmHg |
| Flash Point: | 138.1 °C |
| PSA: | 46.53000 |
| LogP: | 1.60050 |
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- Total:23 Page 1 of 1 1
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Specification
The 3,5-Difluoro-4-methoxyphenylacetic acid with the CAS number 886498-74-4 is also called Benzeneacetic acid,3,5-difluoro-4-methoxy-. Its molecular formula is C9H8F2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 3,5-Difluoro-4-methoxyphenylacetic acid are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.08; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 44.03 cm3; (13)Molar Volume: 149.2 cm3; (14)Polarizability: 17.45×10-24cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Enthalpy of Vaporization: 57.56 kJ/mol; (17)Vapour Pressure: 0.000377 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1OC)CC(O)=O
(2)InChI: InChI=1/C9H8F2O3/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
(3)InChIKey: SEHCPLGBJGKJGK-UHFFFAOYAX