Product Name: 1-benzyl-5-nitro-1H-imidazole
Synonyms of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): 1H-Imidazole,5-nitro-1-(phenylmethyl)-
CAS NO: 159790-78-0
Molecular Formula of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): C10H9N3O2
Molecular Weight: 203.1974
Molecular Structure:
H bond acceptors: 5
Freely Rotating Bonds: 3
Polar Surface Area: 63.64 Å2
Index of Refraction: 1.633
Molar Refractivity: 56.201 cm3
Molar Volume: 157.43 cm3
Surface Tension: 55.757 dyne/cm
Density of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): 1.291 g/cm3
Flash Point: 197.663 °C
Enthalpy of Vaporization: 62.9 kJ/mol
Boiling Point: 403.224 °C at 760 mmHg
SMILES: [O-][N+](=O)c1cncn1Cc2ccccc2
InChI: InChI=1/C10H9N3O2/c14-13(15)10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey: ORVKJGIRFOONOE-UHFFFAOYAB
Std. InChI: InChI=1S/C10H9N3O2/c14-13(15)10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
Std. InChIKey: ORVKJGIRFOONOE-UHFFFAOYSA-N
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