5-Benzyloxy-4-methoxy-2-nitrobenzaldehyde (58662-50-3)

The 5-Benzyloxy-4-methoxy-2-nitrobenzaldehyde, with the CAS registry number 58662-50-3, is also called benzaldehyde, 4-methoxy-2-nitro-5-(phenylmethoxy)-. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C₁₅H₁₃NO₅.

The characteristics of 5-Benzyloxy-4-methoxy-2-nitrobenzaldehyde are as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 486.07; (6)ACD/BCF (pH 7.4): 486.07; (7)ACD/KOC (pH 5.5): 2915.71; (8)ACD/KOC (pH 7.4): 2915.71; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 77.39 cm³; (15)Molar Volume: 221.6 cm³; (16)Polarizability: 30.68×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.296 g/cm³; (19)Flash Point: 218.9 °C; (20)Enthalpy of Vaporization: 75.41 kJ/mol; (21)Boiling Point: 488 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(OC)c(OCc1ccccc1)cc2C=O
(2)InChI: InChI=1/C15H13NO5/c1-20-14-8-13(16(18)19)12(9-17)7-15(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3)InChIKey: IQYPIZWLKNLVIO-UHFFFAOYAH