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500890-58-4

Basic Information
CAS No.: 500890-58-4
Name: 2-Imidazolidinone,1-(2-nitrophenyl)-
Molecular Structure:
Molecular Structure of 500890-58-4 (2-Imidazolidinone,1-(2-nitrophenyl)-)
Formula: C9H9N3O3
Molecular Weight: 207.19
Synonyms: 1-(2-Nitrophenyl)-2-imidazolidinone;
EINECS: N/A
Density: 1.396 g/cm3
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 78.16000
LogP: 2.04140
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Specification

The 2-Imidazolidinone,1-(2-nitrophenyl)-, with the CAS registry number of 500890-58-4, is also known as 1-(2-Nitrophenyl)-2-imidazolidinone. Its molecular formula is C9H9N3O3 and molecular weight is 207.19. What's more, its IUPAC name is 1-(2-Nitrophenyl)imidazolidin-2-one.

Physical properties about the 2-Imidazolidinone,1-(2-nitrophenyl)- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 69.37 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 51.86 cm3; (9)Molar Volume: 148.3 cm3; (10)Surface Tension: 59 dyne/cm; (11)Density: 1.396 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1N2C(=O)NCC2
(2) InChI: InChI=1/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13)
(3) InChIKey: YBRKPAGSKIHGOY-UHFFFAOYAB