Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-(2-Nitrophenyl)-3-oxobutanamide |
EINECS | N/A |
CAS No. | 90915-86-9 | Density | 1.35 g/cm3 |
PSA | 91.99000 | LogP | 2.10860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2O4 | Boiling Point | 447.8 °C at 760 mmHg |
Molecular Weight | 222.2 | Flash Point | 224.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetoacetanilide,2'-nitro- (6CI,7CI);NSC 632230; |
Article Data | 11 |
The N-(2-Nitrophenyl)-3-oxobutanamide, with CAS registry number 90915-86-9, has the systematic name of N-(2-nitrophenyl)-3-oxobutanamide. Beside this, it is also called butanamide, N-(2-nitrophenyl)-3-oxo-. And the chemical formula of this chemical is C10H10N2O4.
Physical properties of N-(2-Nitrophenyl)-3-oxobutanamide: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 62.18; (8)ACD/KOC (pH 7.4): 62.08; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.2 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 56.36 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 22.34×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Enthalpy of Vaporization: 70.62 kJ/mol; (19)Vapour Pressure: 3.27E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1[N+]([O-])=O)CC(=O)C
(2)InChI: InChI=1/C10H10N2O4/c1-7(13)6-10(14)11-8-4-2-3-5-9(8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
(3)InChIKey: ZBRNSHANCDLJAA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-4-2-3-5-9(8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
(5)Std. InChIKey: ZBRNSHANCDLJAA-UHFFFAOYSA-N