2H-Indol-2-one, 1,3-dihydro-5-nitro-3-(2-oxo-2-phenylethylidene)- supplier

Name
5-nitro-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one
EINECS
CAS No. 70452-32-3
Article Data3
CAS DataBase
Density 1.474 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₀N₂O₄
Boiling Point 546.4 °C at 760 mmHg
Molecular Weight 294.26
Flash Point 284.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Nitro-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one;5-Nitro-3-phenacylidene-1H-indol-2-one;
PSA
LogP

2H-Indol-2-one, 1,3-dihydro-5-nitro-3-(2-oxo-2-phenylethylidene)- Specification

The 2H-Indol-2-one, 1,3-dihydro-5-nitro-3-(2-oxo-2-phenylethylidene)-, with the CAS registry number 70452-32-3, is also known as 5-Nitro-3-phenacylidene-1H-indol-2-one. This chemical's molecular formula is C₁₆H₁₀N₂O₄ and molecular weight is 294.26. What's more, its systematic name is 5-nitro-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one.

Physical properties of 2H-Indol-2-one, 1,3-dihydro-5-nitro-3-(2-oxo-2-phenylethylidene)- are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 83.2 Å²; (7)Index of Refraction: 1.73; (8)Molar Refractivity: 79.68 cm³; (9)Molar Volume: 199.5 cm³; (10)Polarizability: 31.59×10^-24cm³; (11)Surface Tension: 74.3 dyne/cm; (12)Density: 1.474 g/cm³; (13)Flash Point: 284.2 °C; (14)Enthalpy of Vaporization: 82.54 kJ/mol; (15)Boiling Point: 546.4 °C at 760 mmHg; (16)Vapour Pressure: 5.42E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
(2)InChI: InChI=1S/C16H10N2O4/c19-15(10-4-2-1-3-5-10)9-13-12-8-11(18(21)22)6-7-14(12)17-16(13)20/h1-9H,(H,17,20)
(3)InChIKey: WUPBHEFJISKVQN-UHFFFAOYSA-N

Product Name

5-nitro-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one

2H-Indol-2-one, 1,3-dihydro-5-nitro-3-(2-oxo-2-phenylethylidene)- Specification

Related Products

Hot Products