4-(4-CHLOROPHENOXY)BENZOIC ACID

This chemical is called Benzoic acid,4-(4-chlorophenoxy)-, and its systematic name is 4-(4-chlorophenoxy)benzoic acid. With the molecular formula of C₁₃H₉ClO₃, its molecular weight is 248.66. The CAS registry number of the chemical is 21120-67-2. Additionally, its product categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids.

Other characteristics of Benzoic acid,4-(4-chlorophenoxy)- can be summarised as followings: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 26.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 158.91; (8)ACD/KOC (pH 7.4): 4.08; (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: 1.616; (14)Molar Refractivity: 64.52 cm³; (15)Molar Volume: 184.5 cm³; (16)Polarizability: 25.57×10^-24 cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.347 g/cm³; (19)Flash Point: 191.1 °C; (20)Enthalpy of Vaporization: 67.71 kJ/mol; (21)Boiling Point: 392.3 °C at 760 mmHg; (22)Vapour Pressure: 7.39E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes and skin. Wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing to the environment and refer to special instructions and safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(Oc1ccc(C(=O)O)cc1)cc2
2.InChI: InChI=1/C13H9ClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
3.InChIKey: YVVCMTFJWOYNJW-UHFFFAOYAM
4.Std. InChI: InChI=1S/C13H9ClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
5.Std. InChIKey: YVVCMTFJWOYNJW-UHFFFAOYSA-N