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CAS No.: | 19689-58-8 |
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Name: | Oxaziridine, 2,3-diphenyl- |
Molecular Structure: | |
Formula: | C13H11NO |
Molecular Weight: | 197.236 |
Density: | 1.205 g/cm3 |
Boiling Point: | 290.035 °C at 760 mmHg |
Flash Point: | 87.385 °C |
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The chemical with CAS registry number of 19689-58-8 is known as Oxaziridine, 2,3-diphenyl-. The systematic name is 2,3-Diphenyloxaziridine. In addition, the formula is C13H11NO and the molecular weight is 197.23.
Physical properties of Oxaziridine, 2,3-diphenyl-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 76; (6)ACD/BCF (pH 7.4): 76; (7)ACD/KOC (pH 5.5): 770; (8)ACD/KOC (pH 7.4): 770; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.54 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 58.672 cm3; (15)Molar Volume: 163.714 cm3; (16)Polarizability: 23.259×10-24cm3; (17)Surface Tension: 48.774 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 87.385 °C; (20)Enthalpy of Vaporization: 52.938 kJ/mol; (21)Boiling Point: 290.035 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1. SMILES: c1ccccc1N2OC2c3ccccc3
2. InChI: InChI=1/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
3. InChIKey: FKOFHTNGBBAITL-UHFFFAOYAC
4. Std. InChI: InChI=1S/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
5. Std. InChIKey: FKOFHTNGBBAITL-UHFFFAOYSA-N