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| CAS No.: | 25233-49-2 |
|---|---|
| Name: | N-(3-Nitro-Phenyl)-3-Oxo-Butyramide |
| Molecular Structure: | |
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| Formula: | C10H10N2O4 |
| Molecular Weight: | 222.2 |
| Synonyms: | Acetoacetanilide,3'-nitro- (6CI,7CI,8CI);3'-Nitroacetoacetanilide;N-(3-Nitrophenyl)acetoacetamide;NSC 165878; |
| Density: | 1.35 g/cm3 |
| Melting Point: | 120-121 °C |
| Boiling Point: | 439.7 °C at 760 mmHg |
| Flash Point: | 219.7 °C |
| PSA: | 91.99000 |
| LogP: | 2.10860 |
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Specification
The N-(3-Nitrophenyl)-3-oxobutanamide with the cas number 25233-49-2 is also called Butanamide,N-(3-nitrophenyl)-3-oxo-. Its molecular formula is C10H10N2O4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (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): 5.04; (7)ACD/KOC (pH 5.5): 112; (8)ACD/KOC (pH 7.4): 110.18; (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: 69.68 kJ/mol; (19)Vapour Pressure: 6.23×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)[N+]([O-])=O)CC(=O)C
(2)InChI: InChI=1/C10H10N2O4/c1-7(13)5-10(14)11-8-3-2-4-9(6-8)12(15)16/h2-4,6H,5H2,1H3,(H,11,14)
(3)InChIKey: KQAQKCOLRNMYFK-UHFFFAOYAR