Butanamide,N-(4-fluorophenyl)-3-oxo- supplier

Name
N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE
EINECS
CAS No. 2713-85-1
Article Data31
CAS DataBase
Density 1.244 g/cm³
Solubility
Melting Point 102 °C(Solv: water (7732-18-5))
Formula C₁₀H₁₀FNO₂
Boiling Point 369.9 °C at 760 mmHg
Molecular Weight 195.193
Flash Point 177.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-fluorophenyl)-3-oxobutanamide;Butanamide, N-(4-fluorophenyl)-3-oxo-;
PSA 46.17000
LogP 1.81630

Butanamide,N-(4-fluorophenyl)-3-oxo- Specification

The Butanamide,N-(4-fluorophenyl)-3-oxo-, with the CAS registry number 2713-85-1, has the systematic name and IUPAC name of N-(4-fluorophenyl)-3-oxobutanamide. And the molecular formula of the chemical is C₁₀H₁₀FNO₂.

The characteristics of Butanamide,N-(4-fluorophenyl)-3-oxo- are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.12; (6)ACD/BCF (pH 7.4): 5.08; (7)ACD/KOC (pH 5.5): 112.01; (8)ACD/KOC (pH 7.4): 111.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 49.81 cm³; (15)Molar Volume: 156.8 cm³; (16)Polarizability: 19.74×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 177.5 °C; (20)Enthalpy of Vaporization: 61.67 kJ/mol; (21)Boiling Point: 369.9 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(F)cc1)CC(=O)C
(2)InChI: InChI=1/C10H10FNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
(3)InChIKey: PCGMZJHAOYYUHF-UHFFFAOYAF

Product Name

N-(4-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE

Butanamide,N-(4-fluorophenyl)-3-oxo- Specification

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