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Basic Information
CAS No.: 727-62-8
Name: 2-CHLORO-3-PHENYLQUINAZOLIN-4(3H)-ONE
Article Data: 5
Molecular Structure:
Molecular Structure of 727-62-8 (2-CHLORO-3-PHENYLQUINAZOLIN-4(3H)-ONE)
Formula: C14H9ClN2O
Molecular Weight: 256.691
Synonyms: 2-Chlor-4-oxo-3-phenyl-3,4-dihydro-chinazolin;2-chloro-3-phenyl-3H-quinazolin-4-one;2-Chlor-3-phenyl-3H-chinazolin-4-on;
Density: 1.31 g/cm3
Boiling Point: 411.2 °C at 760 mmHg
Flash Point: 202.5 °C
PSA: 34.89000
LogP: 3.03910
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Specification

This chemical is called 2-Chloro-3-phenylquinazolin-4(3H)-one. With the molecular formula of C14H9ClN2O, its molecular weight is 256.69. The CAS registry number of this chemical is 727-62-8.

Other characteristics of the 2-Chloro-3-phenylquinazolin-4(3H)-one can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.51; (6)ACD/BCF (pH 7.4): 169.51; (7)ACD/KOC (pH 5.5): 1371.7; (8)ACD/KOC (pH 7.4): 1371.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 71.88 cm3; (15)Molar Volume: 194.5 cm3; (16)Polarizability: 28.49×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 202.5 °C; (20)Enthalpy of Vaporization: 66.36 kJ/mol; (21)Boiling Point: 411.2 °C at 760 mmHg; (22)Vapour Pressure: 5.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1c3c(\N=C(\Cl)N1c2ccccc2)cccc3
2.InChI: InChI=1/C14H9ClN2O/c15-14-16-12-9-5-4-8-11(12)13(18)17(14)10-6-2-1-3-7-10/h1-9H
3.InChIKey: OUWWNOYKNCBEHZ-UHFFFAOYAK