Benzeneacetic acid,3-(chloromethyl)- (857165-45-8)

The (3-Chloromethylphenyl)acetic acid with the CAS number 857165-45-8 is also called Benzeneacetic acid,3-(chloromethyl)-. The IUPAC name is 2-[3-(chloromethyl)phenyl]acetic acid. Its molecular formula is C₉H₉ClO₂. The product category is Organic acids.

The properties of the (3-Chloromethylphenyl)acetic acid are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 47.13 cm³; (15)Molar Volume: 144.5 cm³; (16)Polarizability: 18.68×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 60.46 kJ/mol; (19)Vapour Pressure: 6.78×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cccc(c1)CC(=O)O
(2)InChI: InChI=1/C9H9ClO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: FDDHOTCMBWZKSR-UHFFFAOYAJ