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CAS No.: | 36149-35-6 |
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Name: | 3-phenyl-3-(phenylamino)-2-benzofuran-1(3H)-one |
Molecular Structure: | |
Formula: | C20H15NO2 |
Molecular Weight: | 301.345 |
Synonyms: | NSC122894;3-Anilino-3-phenyl-2-benzofuran-1(3H)-one; |
Density: | 1.289 g/cm3 |
Boiling Point: | 525.6 °C at 760 mmHg |
Flash Point: | 271.6 °C |
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The 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylamino)-, with the CAS registry number 36149-35-6, is also known as 3-Anilino-3-phenyl-2-benzofuran-1(3H)-one. This chemical's molecular formula is C20H15NO2 and molecular weight is 301.34. What's more, its systematic name is 3-phenyl-3-(phenylamino)-2-benzofuran-1(3H)-one.
Physical properties of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylamino)- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 89.12 cm3; (9)Molar Volume: 233.6 cm3; (10)Polarizability: 35.33×10-24cm3; (11)Surface Tension: 59.9 dyne/cm; (12)Density: 1.289 g/cm3; (13)Flash Point: 271.6 °C; (14)Enthalpy of Vaporization: 79.97 kJ/mol; (15)Boiling Point: 525.6 °C at 760 mmHg; (16)Vapour Pressure: 3.88E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(c2ccccc12)(c3ccccc3)Nc4ccccc4
(2)InChI: InChI=1S/C20H15NO2/c22-19-17-13-7-8-14-18(17)20(23-19,15-9-3-1-4-10-15)21-16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey:QPDLGVOQDRRBLW-UHFFFAOYSA-N