2-FLUORO-4-N-OCTYLOXYBENZOIC ACID

The Benzoicacid, 2-fluoro-4-(octyloxy)-, with the CAS registry number 128895-76-1, is also known as 2-Fluoro-4-n-octyloxybenzoic acid. This chemical's molecular formula is C₁₅H₂₁FO₃ and molecular weight is 268.32. What's more, its systematic name is 2-Fluoro-4-(octyloxy)benzoic acid and it belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds.

Physical properties of Benzoicacid, 2-fluoro-4-(octyloxy)- are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 147.75; (6)ACD/BCF (pH 7.4): 10.58; (7)ACD/KOC (pH 5.5): 352.59; (8)ACD/KOC (pH 7.4): 25.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 72.28 cm³; (15)Molar Volume: 245.7 cm³; (16)Polarizability: 28.65×10^-24 cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.091 g/cm³; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 64.38 kJ/mol; (21)Boiling Point: 364 °C at 760 mmHg; (22)Vapour Pressure: 6.15E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCCCCCCC)cc1F
(2)InChI: InChI=1/C15H21FO3/c1-2-3-4-5-6-7-10-19-12-8-9-13(15(17)18)14(16)11-12/h8-9,11H,2-7,10H2,1H3,(H,17,18)
(3)InChIKey: AWPDESKDPDUKRX-UHFFFAOYSA-N