Molecular Structure of 3-Benzoylphenylacetonitrile (CAS No.21288-34-6):
Molecular Formula: C15H11NO
Molecular Weight: 221.2539
CAS No: 21288-34-6
IUPAC Name: 2-(3-Benzoylphenyl)acetonitrile
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 40.86 Å2
Index of Refraction: 1.591
Molar Refractivity: 65.5 cm3
Molar Volume: 193.7 cm3
Surface Tension: 48.6 dyne/cm
Density: 1.141 g/cm3
Flash Point: 199.4 °C
Enthalpy of Vaporization: 65.79 kJ/mol
Boiling Point: 406.2 °C at 760 mmHg
Vapour Pressure: 8.3E-07 mmHg at 25°C
InChI: InChI=1/C15H11NO/c16-10-9-12-5-4-8-14(11-12)15(17)13-6-2-1-3-7-13/h1-8,11H,9H2
InChIKey: MHKMCTCMEDUINO-UHFFFAOYAP
Std. InChI: InChI=1S/C15H11NO/c16-10-9-12-5-4-8-14(11-12)15(17)13-6-2-1-3-7-13/h1-8,11H,9H2
Std. InChIKey: MHKMCTCMEDUINO-UHFFFAOYSA-N
Product Categories: Aromatics Compounds;Aromatics;Intermediates
3-Benzoylphenylacetonitrile (CAS No.21288-34-6), its synonyms are Benzophenone-3-propionitrile ; (3-Benzoylphenyl)-Acetonitrile ; 3-Benzoylbenzeneacetonitrile ; m-Benzoylphenylacetonitrile
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