Benzaldehyde,2-bromo-4-methyl-5-nitro- (159730-72-0)

The 2-Bromo-4-methyl-5-nitrobenzaldehyde with the CAS number 159730-72-0 is also called Benzaldehyde,2-bromo-4-methyl-5-nitro-. Its molecular formula is C₈H₆BrNO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 473; (8)ACD/KOC (pH 7.4): 473; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 52.066 cm³; (15)Molar Volume: 145.401 cm³; (16)Polarizability: 20.641×10^-24cm³; (17)Surface Tension: 54.994 dyne/cm; (18)Enthalpy of Vaporization: 56.034 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(cc1N(=O)=O)C=O)Br
(2)InChI: InChI=1/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3
(3)InChIKey: OKHCEMLRYRLMEX-UHFFFAOYAL