The Benzaldehyde,4-[(2,4-dichlorophenyl)methoxy]-, with CAS registry number 70627-17-7, has the systematic name of 4-[(2,4-dichlorobenzyl)oxy]benzaldehyde. Besides this, it is also called TIMTEC-BB SBB002111. And the chemical formula of this chemical is C14H10Cl2O2.
Physical properties of Benzaldehyde,4-[(2,4-dichlorophenyl)methoxy]-: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 73.96 cm3; (9)Molar Volume: 209.7 cm3; (10)Polarizability: 29.32×10-24cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 173.2 °C; (14)Enthalpy of Vaporization: 67.36 kJ/mol; (15)Boiling Point: 419.8 °C at 760 mmHg; (16)Vapour Pressure: 2.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1COc2ccc(C=O)cc2
(2)InChI: InChI=1/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
(3)InChIKey: MCFMTPMHCQCPNT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
(5)Std. InChIKey: MCFMTPMHCQCPNT-UHFFFAOYSA-N
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