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CAS No.: | 59067-46-8 |
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Name: | 4-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C14H11ClO2 |
Molecular Weight: | 246.693 |
Synonyms: | 4-(4-Chlorobenzyloxy)benzaldehyde;4-[(4-Chlorophenyl)methoxy]benzaldehyde; |
Density: | 1.247 g/cm3 |
Boiling Point: | 393.9 °C at 760 mmHg |
Flash Point: | 164.7 °C |
PSA: | 26.30000 |
LogP: | 3.73150 |
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The Benzaldehyde, 4-[(4-chlorophenyl)methoxy]-, with the CAS registry number of 59067-46-8, is also known as 4-(4-Chlorobenzyloxy)benzaldehyde. This chemical's molecular formula is C14H11ClO2 and molecular weight is 246.6889. What's more, its IUPAC name is 4-[(4-Chlorophenyl)methoxy]benzaldehyde.
Physical properties about Benzaldehyde, 4-[(4-chlorophenyl)methoxy]- are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.95; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 592.1; (6)ACD/BCF (pH 7.4): 592.1; (7)ACD/KOC (pH 5.5): 3358.03; (8)ACD/KOC (pH 7.4): 3358.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 69.06 cm3; (15)Molar Volume: 197.7 cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.247 g/cm3; (18)Flash Point: 164.7 °C; (19)Enthalpy of Vaporization: 64.38 kJ/mol; (20)Boiling Point: 393.9 °C at 760 mmHg; (21)Vapour Pressure: 2.07E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)COc2ccc(C=O)cc2
(2) InChI: InChI=1/C14H11ClO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
(3) InChIKey: LYEQERPOWVBIQS-UHFFFAOYAO