Alpha-Bromo-4-Chlorophenylacetic Acid

The Benzeneacetic acid, α-bromo-4-chloro-, with the CAS registry number 3381-73-5, is also known as α-bromo-4-chlorophenylacetic acid. It belongs to the product categories of C₈; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₈H₆BrClO₂ and molecular weight is 249.49. What's more, its systematic name is bromo(4-chlorophenyl)acetic acid.

Physical properties of Benzeneacetic acid, α-bromo-4-chloro- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 37.3 Å²; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 49.996 cm³; (12)Molar Volume: 142.757 cm³; (13)Polarizability: 19.82×10^-24cm³; (14)Surface Tension: 57.047 dyne/cm; (15)Density: 1.748 g/cm³; (16)Flash Point: 151.02 °C; (17)Enthalpy of Vaporization: 59.989 kJ/mol; (18)Boiling Point: 326.099 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It can cause burns. 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. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(Br)C(=O)O
(2)InChI: InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
(3)InChIKey: KKOAAWLOOHBFQP-UHFFFAOYSA-N