5-(3-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID

The CAS register number of 2-Furancarboxylic acid,5-(3-nitrophenyl)- is 13130-13-7. It also can be called as 5-(3-Nitrophenyl)-2-furoic acid and the systematic name about this chemical is 5-(3-nitrophenyl)furan-2-carboxylic acid. The molecular formula about this chemical is C₁₁H₇NO₅ and the molecular weight is 233.18. It belongs to the following product category which includes API intermediates.

Physical properties about 2-Furancarboxylic acid,5-(3-nitrophenyl)- are: (1)ACD/LogP: 2.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.08; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 85.26 Å²; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 56.61 cm³; (12)Molar Volume: 161.8 cm³; (13)Polarizability: 22.44x10^-24cm³; (14)Surface Tension: 60.8 dyne/cm; (15)Density: 1.44 g/cm³; (16)Flash Point: 226.1 °C; (17)Enthalpy of Vaporization: 74.72 kJ/mol; (18)Boiling Point: 450.2 °C at 760 mmHg; (19)Vapour Pressure: 6.83E-09 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 and it may cause inflammation to the skin or other mucous membranes. If you want to use 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: O=C(O)c2oc(c1cc([N+]([O-])=O)ccc1)cc2
(2)InChI: InChI=1/C11H7NO5/c13-11(14)10-5-4-9(17-10)7-2-1-3-8(6-7)12(15)16/h1-6H,(H,13,14)
(3)InChIKey: XWQLGLUTQIKSAJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H7NO5/c13-11(14)10-5-4-9(17-10)7-2-1-3-8(6-7)12(15)16/h1-6H,(H,13,14)
(5)Std. InChIKey: XWQLGLUTQIKSAJ-UHFFFAOYSA-N