Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,6-Difluoro-4-methoxyphenylacetic acid |
EINECS | N/A |
CAS No. | 886498-98-2 | Density | 1.354 g/cm3 |
PSA | 46.53000 | LogP | 1.60050 |
Solubility | N/A | Melting Point |
138-141℃ |
Formula | C9H8F2O3 | Boiling Point | 269.4 °C at 760 mmHg |
Molecular Weight | 202.158 | Flash Point | 116.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(2,6-difluoro-4-Methoxyphenyl)acetic acid;2,6-Didifluoro-4-Methoxyphenylacetic acid |
Article Data | 2 |
The Benzeneacetic acid,2,6-difluoro-4-methoxy-, with CAS registry number 886498-98-2, has the systematic name of (2,6-difluoro-4-methoxyphenyl)acetic acid. Its molecular weight is 202.15. And the chemical formula of this chemical is C9H8F2O3.
Physical properties of Benzeneacetic acid,2,6-difluoro-4-methoxy-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 149.2 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 116.7 °C; (20)Enthalpy of Vaporization: 53.62 kJ/mol; (21)Boiling Point: 269.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00358 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(OC)c1)CC(=O)O
(2)InChI: InChI=1/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13)
(3)InChIKey: KXWRAINJKJTUDG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8F2O3/c1-14-5-2-7(10)6(4-9(12)13)8(11)3-5/h2-3H,4H2,1H3,(H,12,13)
(5)Std. InChIKey: KXWRAINJKJTUDG-UHFFFAOYSA-N