5-Bromo-2-methoxycinnamic acid

The CAS register number of 5-Bromo-2-methoxycinnamic acid is 40803-53-0. It also can be called as 2-Propenoic acid, 3-(5-bromo-2-methoxyphenyl)-, (2E)- and the systematic name about this chemical is (2E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid. The molecular formula about this chemical is C₁₀H₉BrO₃ and the molecular weight is 257.08. It belongs to the following product categories which include Aromatic Cinnamic Acids, Esters and Derivatives; C10; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about 5-Bromo-2-methoxycinnamic acid are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 1.7; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 4.26; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.05; (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: 1.62; (13)Molar Refractivity: 58.07 cm³; (14)Molar Volume: 165.2 cm³; (15)Polarizability: 23.02x10^-24cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Flash Point: 184.5 °C; (18)Enthalpy of Vaporization: 66.44 kJ/mol; (19)Boiling Point: 381.5 °C at 760 mmHg; (20)Vapour Pressure: 1.68E-06 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 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)\C=C\C(=O)O
(2)InChI: InChI=1/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
(3)InChIKey: QABZTGNRWBRJBO-GORDUTHDBM
(4)Std. InChI: InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
(5)Std. InChIKey: QABZTGNRWBRJBO-GORDUTHDSA-N