Molecule structure of 5-Methyl-2-phenylbenzoxazole (CAS NO.7420-86-2):
IUPAC Name: 5-Methyl-2-phenyl-1,3-benzoxazole
Molecular Weight: 209.24324 [g/mol]
Molecular Formula: C14H11NO
Index of Refraction: 1.623
Molar Refractivity: 63.9 cm3
Molar Volume: 181.1 cm3
Surface Tension: 45.4 dyne/cm
Density: 1.155 g/cm3
Flash Point: 128 °C
Enthalpy of Vaporization: 53.37 kJ/mol
Boiling Point: 314.7 °C at 760 mmHg
Vapour Pressure: 0.000847 mmHg at 25 °C
XLogP3-AA: 3.8
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 209.084064
MonoIsotopic Mass: 209.084064
Topological Polar Surface Area: 26
Heavy Atom Count: 16
Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3
InChI: InChI=1S/C14H11NO/c1-10-7-8-13-12(9-10)15-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey: RDBLNMQDEWOUIB-UHFFFAOYSA-N
EINECS of 5-Methyl-2-phenylbenzoxazole (CAS NO.7420-86-2): 231-040-9
5-Methyl-2-phenylbenzoxazole (CAS NO.7420-86-2) is also named as 5-Methyl-2-phenyl-benzooxazole ; Benzoxazole, 5-methyl-2-phenyl- ; 5-Methyl-2-phenyl-1,3-benzoxazole ; 5-Methyl-2-phenylbenzo[d]oxazole ; Witisol .
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