N-(4-BROMOPHENYL)MALEAMIC ACID

The 2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo- is an organic compound with the formula C₁₀H₈BrNO₃. The IUPAC name of this chemical is (2Z)-4-(4-bromoanilino)-4-oxobut-2-enoate. With the CAS registry number 36847-86-6, it is also named as 3-(4-Bromo-phenylcarbamoyl)-acrylic acid. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2-Butenoic acid,4-[(4-bromophenyl)amino]-4-oxo- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 59.1 cm³; (14)Molar Volume: 159.9 cm³; (15)Polarizability: 23.43×10^-24cm³; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.688 g/cm³; (18)Flash Point: 245.3 °C; (19)Enthalpy of Vaporization: 78.66 kJ/mol; (20)Boiling Point: 482 °C at 760 mmHg; (21)Vapour Pressure: 4.22E-10 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. 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: Brc1ccc(NC(=O)/C=C\C(=O)O)cc1
(2)InChI: InChI=1/C10H8BrNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5-
(3)InChIKey: DSNFUZCLEZJCRN-WAYWQWQTBY
(4)Std. InChI: InChI=1S/C10H8BrNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5-
(5)Std. InChIKey: DSNFUZCLEZJCRN-WAYWQWQTSA-N