Benzaldehyde,2-chloro-4-methyl- (50817-80-6)

The 2-Chloro-4-methylbenzaldehyde with the CAS number 50817-80-6 is also called Benzaldehyde,2-chloro-4-methyl-. Its molecular formula is C₈H₇OCl. This chemical belongs to the following product categories: (1)Aldehydes; (2)Phenyls & Phenyl-Het.

The properties of the chemical are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.71; (6)ACD/BCF (pH 7.4): 77.71; (7)ACD/KOC (pH 5.5): 784.88; (8)ACD/KOC (pH 7.4): 784.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 42.72 cm³; (15)Molar Volume: 129.3 cm³; (16)Polarizability: 16.93×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 47.15 kJ/mol; (19)Vapour Pressure: 0.0521 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(C)cc1Cl
(2)InChI: InChI=1/C8H7ClO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
(3)InChIKey: OSPMNRDGMUPWNO-UHFFFAOYAD