5-BROMO-2-METHOXYPHENYLACETIC ACID

The CAS register number of Benzeneacetic acid,5-bromo-2-methoxy- is 7017-48-3. It also can be called as 2-(5-bromo-2-methoxyphenyl)acetic acid and the systematic name about this chemical is (5-bromo-2-methoxyphenyl)acetic acid. The molecular formula about this chemical is C₉H₉BrO₃ and the molecular weight is 245.07. It belongs to the Aromatic Phenylacetic Acids and Derivatives.

Physical properties about Benzeneacetic acid,5-bromo-2-methoxy- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.7; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 51.73 cm³; (14)Molar Volume: 157 cm³; (15)Polarizability: 20.5x10^-24cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Enthalpy of Vaporization: 63.13 kJ/mol; (18)Boiling Point: 353.3 °C at 760 mmHg; (19)Vapour Pressure: 1.33E-05 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1)CC(=O)O
(2)InChI: InChI=1/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: BBHBUJQFVCMESB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(5)Std. InChIKey: BBHBUJQFVCMESB-UHFFFAOYSA-N