2-NITRO-5-(PHENYLACETYLAMINO)-BENZOIC ACID

The Benzoic acid,2-nitro-5-[(2-phenylacetyl)amino]-, also known as NIPAB, is the organic compound with the formula C₁₅H₁₂N₂O₅. It belongs to the product categories of Activity; Chromogenic; Enzyme Substrates. With the CAS registry number 52033-70-2, its IUPAC name is 2-nitro-5-[(2-phenylacetyl)amino]benzoic acid.

Physical properties of Benzoic acid,2-nitro-5-[(2-phenylacetyl)amino]-: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 0.36; (3)ACD/LogD (pH 7.4): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.6; (7)ACD/KOC (pH 7.4): 1.14; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 78.48 cm³; (13)Molar Volume: 207.5 cm³; (14)Surface Tension: 70.1 dyne/cm; (15)Density: 1.446 g/cm³; (16)Flash Point: 316.4 °C; (17)Enthalpy of Vaporization: 93.87 kJ/mol; (18)Boiling Point: 599.6 °C at 760 mmHg; (19)Vapour Pressure: 3.15E-15 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O
(2)InChI: InChI=1S/C15H12N2O5/c18-14(8-10-4-2-1-3-5-10)16-11-6-7-13(17(21)22)12(9-11)15(19)20/h1-7,9H,8H2,(H,16,18)(H,19,20)
(3)InChIKey: QHVQEQRGDKOHHC-UHFFFAOYSA-N