Benzaldehyde,2-methoxy-6-nitro- (19689-88-4)

The IUPAC name of 2-Methoxy-6-nitrobenzaldehyde is 2-Methoxy-6-nitrobenzaldehyde. With the CAS registry number 19689-88-4, it is also named as Benzaldehyde,2-methoxy-6-nitro-. In addition, its molecular formula is C₈H₇NO₄ and its molecular weight is 181.15. 

The other characteristics of 2-Methoxy-6-nitrobenzaldehyde can be summarized as: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.03; (6)ACD/BCF (pH 7.4): 24.03; (7)ACD/KOC (pH 5.5): 338.8; (8)ACD/KOC (pH 7.4): 338.8; (9)H bond acceptors: 5; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.22 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 18.32×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.322 g/cm³; (19)Flash Point: 178.6 °C; (20)Enthalpy of Vaporization: 59.03 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COc1cccc(c1C=O)N(=O)=O
(2)InChI:InChI=1/C8H7NO4/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-5H,1H3
(3)InChIKey:NQCOCZQZPQKVGI-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C8H7NO4/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-5H,1H3
(5)Std. InChIKey:NQCOCZQZPQKVGI-UHFFFAOYSA-N