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31659-42-4

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Basic Information
CAS No.: 31659-42-4
Name: 4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole
Article Data: 17
Molecular Structure:
Molecular Structure of 31659-42-4 (4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole)
Formula: C9H9N3O2
Molecular Weight: 191.189
Synonyms: 2-(3-Nitrophenyl)-4,5-dihydro-1H-imidazole;
EINECS: 250-754-1
Density: 1.41 g/cm3
Melting Point: 156-157 °C
Boiling Point: 334.7 °C at 760 mmHg
Flash Point: 156.2 °C
PSA: 70.21000
LogP: 1.23220
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Specification

The 1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)-, with the CAS registry number 31659-42-4, is also known as 4,5-Dihydro-2-(3-nitrophenyl)-1H-imidazole. It belongs to the product categories of Heterocyclic Compounds; Imidaxoles. Its EINECS registry number is 250-754-1. This chemical's molecular formula is C9H9N3O2 and molecular weight is 191.18666. What's more, its systematic name is called 2-(3-Nitrophenyl)-4,5-dihydro-1H-imidazole.

Physical properties about 1H-Imidazole,4,5-dihydro-2-(3-nitrophenyl)- are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 61.42 Å2; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 50.69 cm3; (9)Molar Volume: 135.2 cm3; (10)Surface Tension: 60.5 dyne/cm; (11)Density: 1.41 g/cm3; (12)Flash Point: 156.2 °C; (13)Enthalpy of Vaporization: 57.76 kJ/mol; (14)Boiling Point: 334.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)/C2=N/CCN2
(2) InChI: InChI=1/C9H9N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-3,6H,4-5H2,(H,10,11)
(3) InChIKey: YSCJJOXSVFNSPY-UHFFFAOYAA