4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro- supplier

Name
1-ACETYL-2,3-DIHYDRO-6-NITRO-4(1H)-QUINOLINONE
EINECS
CAS No. 57445-27-9
Density 1.403g/cm³
Solubility
Melting Point 108-110 °C(Solv: ethanol (64-17-5))
Formula C₁₁H₁₀N₂O₄
Boiling Point 538.5 °C at 760 mmHg
Molecular Weight 234.211
Flash Point 279.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Acetyl-6-nitro-2,3-dihydroquinolin-4(1H)-one;
PSA 83.20000
LogP 2.12230

4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro- Specification

The 4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro-, with the CAS registry number 57445-27-9, is also known as 1-Acetyl-2,3-dihydro-6-nitro-4(1H)-quinolinone. This chemical's molecular formula is C₁₁H₁₀N₂O₄ and molecular weight is 234.21. What's more, its systematic name is 1-Acetyl-6-nitro-2,3-dihydroquinolin-4(1H)-one.

Physical properties about 4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro-: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.54; (6)ACD/BCF (pH 7.4): 4.54; (7)ACD/KOC (pH 5.5): 102.8; (8)ACD/KOC (pH 7.4): 102.8; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 83.2 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 57.87 cm³; (15)Molar Volume: 166.9 cm³; (16)Surface Tension: 60.9 dyne/cm; (17)Density: 1.403 g/cm³; (18)Flash Point: 279.5 °C; (19)Enthalpy of Vaporization: 81.57 kJ/mol; (20)Boiling Point: 538.5 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)C(=O)CCN2C(C)=O
(2) InChI: InChI=1/C11H10N2O4/c1-7(14)12-5-4-11(15)9-6-8(13(16)17)2-3-10(9)12/h2-3,6H,4-5H2,1H3
(3) InChIKey: OGSMJYXHZMOVED-UHFFFAOYAR

Product Name

1-ACETYL-2,3-DIHYDRO-6-NITRO-4(1H)-QUINOLINONE

4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro- Specification

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