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88538-84-5 | 4(3H)-Quinazolinone, 6-bromo-3-[4-(4-fluorophenoxy)phenyl]-2-phenyl-
CAS No: 88538-84-5 Catalog No: AG004E5N MDL No:
Product Description
Catalog Number:
AG004E5N
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-3-[4-(4-fluorophenoxy)phenyl]-2-phenyl-
CAS Number:
88538-84-5
Molecular Formula:
C26H16BrFN2O2
Molecular Weight:
487.3198
IUPAC Name:
6-bromo-3-[4-(4-fluorophenoxy)phenyl]-2-phenylquinazolin-4-one
InChI:
InChI=1S/C26H16BrFN2O2/c27-18-6-15-24-23(16-18)26(31)30(25(29-24)17-4-2-1-3-5-17)20-9-13-22(14-10-20)32-21-11-7-19(28)8-12-21/h1-16H
InChI Key:
ZJTPTPNZUVTSSH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Oc1ccc(cc1)n1c(nc2c(c1=O)cc(cc2)Br)c1ccccc1
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.038g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.328g/mol
Monoisotopic Mass:
486.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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