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88538-87-8 | 4(3H)-Quinazolinone, 6,8-dibromo-3-(4-phenoxyphenyl)-2-phenyl-
CAS No: 88538-87-8 Catalog No: AG004FZJ MDL No:
Product Description
Catalog Number:
AG004FZJ
Chemical Name:
4(3H)-Quinazolinone, 6,8-dibromo-3-(4-phenoxyphenyl)-2-phenyl-
CAS Number:
88538-87-8
Molecular Formula:
C26H16Br2N2O2
Molecular Weight:
548.2254
IUPAC Name:
6,8-dibromo-3-(4-phenoxyphenyl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C26H16Br2N2O2/c27-18-15-22-24(23(28)16-18)29-25(17-7-3-1-4-8-17)30(26(22)31)19-11-13-21(14-12-19)32-20-9-5-2-6-10-20/h1-16H
InChI Key:
SPSFMENPFYXXJJ-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)c1ccccc1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.956g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.234g/mol
Monoisotopic Mass:
545.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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