Basic information
- Name:
N-(3-Chloro-2-fluoro-phenyl)acetamide
- CAS No.:
395-36-8
- Molecular Structure:
- Formula:
- C8H7ClFNO
- Molecular Weight:
- 187.5987
- Synonyms:
- 3'-Chloro-2'-fluoroacetanilide;
- Density:
- 1.352 g/cm3
- Boiling Point:
- 318.2 °C at 760 mmHg
- Flash Point:
- 146.3 °C
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Specification
This chemical is called N-(3-Chloro-2-fluoro-phenyl)acetamide, and it can also be named as 3'-Chloro-2'-fluoroacetanilide. With the molecular formula of C8H7ClFNO, its molecular weight is 187.5987. The CAS registry number of this chemical is 395-36-8, and its systematic name is N-(3-Chloro-2-fluorophenyl)acetamide.
Other characteristics of the N-(3-Chloro-2-fluoro-phenyl)acetamide can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 209.03; (8)ACD/KOC (pH 7.4): 209.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 138.6 cm3; (16)Polarizability: 18×10-24 cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000366 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(NC(=O)C)cccc1Cl
2.InChI: InChI=1/C8H7ClFNO/c1-5(12)11-7-4-2-3-6(9)8(7)10/h2-4H,1H3,(H,11,12)
3.InChIKey: CBJRXPIMTXGGAT-UHFFFAOYAP