Basic information
- Name:
Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)-
- CAS No.:
53165-95-0
- Molecular Structure:
- Formula:
- C9H5Cl3N2O
- Molecular Weight:
- 263.5078
- Density:
- 1.52g/cm3
- Boiling Point:
- 402.5 °C at 760 mmHg
- Flash Point:
- 197.2 °C
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Specification
The CAS registry number of Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)- is 53165-95-0. This chemical's molecular formula is C9H5Cl3N2O and molecular weight is 263.5078. What's more, both its IUPAC name and systematic name are the same which is called 2,2,2-Trichloro-N-(4-cyanophenyl)acetamide.
Physical properties about Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)- are: (1)ACD/LogP: 4.25; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 996.6; (6)ACD/BCF (pH 7.4): 989.21; (7)ACD/KOC (pH 5.5): 4874.48; (8)ACD/KOC (pH 7.4): 4838.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 58.85 cm3; (15)Molar Volume: 172.7 cm3; (16)Surface Tension: 58.5 dyne/cm; (17)Density: 1.52 g/cm3; (18)Flash Point: 197.2 °C; (19)Enthalpy of Vaporization: 65.36 kJ/mol; (20)Boiling Point: 402.5 °C at 760 mmHg; (21)Vapour Pressure: 1.09E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(C#N)cc1)C(Cl)(Cl)Cl
(2) InChI: InChI=1/C9H5Cl3N2O/c10-9(11,12)8(15)14-7-3-1-6(5-13)2-4-7/h1-4H,(H,14,15)
(3) InChIKey: RWWHDWGTLIGQBC-UHFFFAOYAP
