3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid

The systematic name of this chemical is 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid. With the CAS registry number 162401-62-9, it is also named as benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-. The formula is C₁₂H₁₂F₂O₄ and molecular weight is 258.22. It is used as pharmaceutical intermediate.

The other characteristics of 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid can be summarized as: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.34; (8)ACD/KOC (pH 7.4): 1.12; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 58.67 cm³; (15)Molar Volume: 190.5 cm³; (16)Polarizability: 23.25×10^-24 cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 63.49 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)Oc2ccc(C(=O)O)cc2OCC1CC1
2. InChI:InChI=1/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16) 
3. InChIKey:IGFDIFLMMLWKKY-UHFFFAOYAI
4. Std. InChI:InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16) 
5. Std. InChIKey:IGFDIFLMMLWKKY-UHFFFAOYSA-N