2-CHLORO-5-NITROCINNAMIC ACID

The 2-Propenoic acid,3-(2-chloro-5-nitrophenyl)- is an organic compound with the formula C₉H₆ClNO₄. The systematic name of this chemical is (2E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid. With the CAS registry number 36015-19-7, it is also named as 3-(2-chloro-5-nitrophenyl)acrylic acid. The product's categories are Aromatic Cinnamic Acids, Esters and Derivatives. Besides, it is a light beige crystalline powder, which should be stored in a closed cool and well-ventilated place.

Physical properties about 2-Propenoic acid,3-(2-chloro-5-nitrophenyl)- are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 0.56; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12 Å2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 55.14 cm³; (14)Molar Volume: 148.8 cm³; (15)Polarizability: 21.86×10^-24cm³; (16)Surface Tension: 65.4 dyne/cm; (17)Density: 1.529 g/cm³; (18)Flash Point: 196.7 °C; (19)Enthalpy of Vaporization: 68.83 kJ/mol; (20)Boiling Point: 401.7 °C at 760 mmHg; (21)Vapour Pressure: 3.57E-07 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, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1/C=C/C(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
(3)InChIKey: IHTLKLSRRSWIGD-DAFODLJHBV
(4)Std. InChI: InChI=1S/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
(5)Std. InChIKey: IHTLKLSRRSWIGD-DAFODLJHSA-N