Molecular structure of 5,7-Difluoro-3,4-dihydroquinazolin-4-one (CAS NO.379228-58-7) is:
Product Name: 5,7-Difluoro-3,4-dihydroquinazolin-4-one
CAS Registry Number: 379228-58-7
IUPAC Name: 5,7-difluoro-1H-quinazolin-4-one
Molecular Weight: 182.126966 [g/mol]
Molecular Formula: C8H4F2N2O
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Index of Refraction: 1.62
Molar Refractivity: 41.013 cm3
Molar Volume: 116.807 cm3
Surface Tension: 43.034 dyne/cm
Density: 1.559 g/cm3
Flash Point: 133.625 °C
Enthalpy of Vaporization: 53.718 kJ/mol
Boiling Point: 297.336 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C
Canonical SMILES: C1=C(C=C2C(=C1F)C(=O)N=CN2)F
InChI: InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)
InChIKey: DIQRRDUOMDYXDK-UHFFFAOYSA-N
5,7-Difluoro-3,4-dihydroquinazolin-4-one , its cas register number is 379228-58-7. It also can be called 4(3H)-Quinazolinone,5,7-difluoro- ; 4(1H)-Quinazolinone,5,7-difluoro- (9CI) .
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