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CAS No.: | 6296-59-9 |
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Name: | 2-(benzoylamino)phenyl benzoate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C20H15NO3 |
Molecular Weight: | 317.344 |
Synonyms: | Benzanilide, 2'-hydroxy-, benzoate (6CI,7CI);Benzanilide, 2'-hydroxy-, benzoate (ester) (8CI);NSC17065;O,N-Dibenzoyl-o-aminophenol; |
Density: | 1.26 g/cm3 |
Boiling Point: | 449.4 °C at 760 mmHg |
Flash Point: | 225.6 °C |
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The CAS registry number of Benzamide, N-[2-(benzoyloxy)phenyl]- is 6296-59-9. This chemical's molecular formula is C20H15NO3 and molecular weight is 317.338. What's more, its systematic name is 2-(Benzoylamino)phenyl benzoate.
Physical properties about this chemical are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 616.62; (6)ACD/BCF (pH 7.4): 616.62; (7)ACD/KOC (pH 5.5): 3456.99; (8)ACD/KOC (pH 7.4): 3456.98; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 92.47 cm3; (15)Molar Volume: 251.7 cm3; (16)Polarizability: 36.65×10-24 cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 225.6 °C; (20)Enthalpy of Vaporization: 70.81 kJ/mol; (21)Boiling Point: 449.4 °C at 760 mmHg; (22)Vapour Pressure: 2.86E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2ccccc2NC(=O)c1ccccc1)c3ccccc3
(2)InChI: InChI=1/C20H15NO3/c22-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)24-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,22)
(3)InChIKey: QGOZYNURVSRBIG-UHFFFAOYAR