The IUPAC name of this product is (2-Methyl-4-nitrophenyl)arsonic acid, and its CAS registry number is 5450-66-8. It is also named as (2-Methyl-4-nitrophenyl)arsonic acid. This chemical's molecular formula is C7H8AsNO5 and molecular weight is 261.0637.
Physical properties about (2-Methyl-4-nitro-phenyl)arsonic acid are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 81.35 Å2; (7)Flash Point: 241.7 °C; (8)Enthalpy of Vaporization: 86.71 kJ/mol; (9)Boiling Point: 545.2 °C at 760 mmHg; (10)Vapour Pressure: 1.02E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[As](O)(O)c1ccc(cc1C)[N+]([O-])=O
(2) InChI: InChI=1/C7H8AsNO5/c1-5-4-6(9(13)14)2-3-7(5)8(10,11)12/h2-4H,1H3,(H2,10,11,12)
(3) InChIKey: YGQVKBPJCKRDFL-UHFFFAOYAH
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