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27398-50-1

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Basic Information
CAS No.: 27398-50-1
Name: 6-Bromo-2-phenyl-1H-quinazolin-4-one
Article Data: 42
Molecular Structure:
Molecular Structure of 27398-50-1 (6-Bromo-2-phenyl-1H-quinazolin-4-one)
Formula: C14H9BrN2O
Molecular Weight: 301.142
Synonyms: 6-Bromo-2-phenylquinazolin-4(3H)-one;
Density: 1.57 g/cm3
Melting Point: 303-305 °C(Solv: isopropanol (67-63-0))
Boiling Point: 455.5±47.0 °C(Predicted)
PSA: 46.01000
LogP: 3.76490
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Specification

The CAS registry number of 6-Bromo-2-phenyl-1H-quinazolin-4-one is 27398-50-1. In addition, its molecular formula is C14H9BrN2O and molecular weight is 301.1381. Its systematic name is called 6-Bromo-2-phenylquinazolin-4(3H)-one.

Physical properties about 6-Bromo-2-phenyl-1H-quinazolin-4-one are: (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): 169.87; (6)ACD/BCF (pH 7.4): 169.48; (7)ACD/KOC (pH 5.5): 1373.8; (8)ACD/KOC (pH 7.4): 1370.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.697; (13)Molar Refractivity: 73.93 cm3; (14)Molar Volume: 191.7 cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Density: 1.57 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2\N=C(/NC(=O)c2c1)c3ccccc3
(2)InChI: InChI=1/C14H9BrN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
(3)InChIKey: NXSZVAPNPHKIKA-UHFFFAOYAX