Molecular Structure of 4-(4-Nitrophenyl)-1,3-oxazole (CAS NO.13382-61-1):
Systematic Name: 4-(4-Nitrophenyl)-1,3-oxazole
Molecular Formula: C9H6N2O3
Molecular Weight: 190.16
Nominal Mass: 190
Average Mass: 190.1555
Monoisotopic Mass: 190.037842
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.585
Molar Refractivity: 47.781 cm3
Molar Volume: 142.578 cm3
Surface Tension: 52.749 dyne/cm
Density: 1.334 g/cm3
Flash Point: 167.045 °C
Enthalpy of Vaporization: 57.385 kJ/mol
Boiling Point: 352.597 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: [O-][N+](=O)c1ccc(cc1)c2cocn2
InChI: InChI=1/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-6H
InChIKey: STSISQMFQWBGLZ-UHFFFAOYAS
4-(4-Nitrophenyl)-1,3-oxazole (CAS NO.13382-61-1), its Synonyms are Oxazole,4-(p-nitrophenyl)- (7CI,8CI) ; 4-(4-Nitrophenyl)oxazole ; Oxazole,4-(4-nitrophenyl)- ; 4-(1,3-Oxazole-4-yl)nitrobenzene .
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