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13382-61-1

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Basic Information
CAS No.: 13382-61-1
Name: 4-(4-Nitrophenyl)-1,3-oxazole
Article Data: 4
Molecular Structure:
Molecular Structure of 13382-61-1 (4-(4-Nitrophenyl)-1,3-oxazole)
Formula: C9H6 N2 O3
Molecular Weight: 190.158
Synonyms: Oxazole,4-(p-nitrophenyl)- (7CI,8CI); 4-(4-Nitrophenyl)-1,3-oxazole;4-(4-Nitrophenyl)oxazole
Density: 1.334g/cm3
Melting Point: 186-188 °C(Solv: methanol (67-56-1))
Boiling Point: 352.597oC at 760 mmHg
Flash Point: 167.045oC
PSA: 71.85000
LogP: 2.77300
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Chemistry

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

Specification

 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 .