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130563-64-3 | 1H-Indene-1,3(2H)-dione, 5-bromo-2-(4-bromo-3-hydroxy-2-quinolinyl)-
CAS No: 130563-64-3 Catalog No: AG000UN9 MDL No:
Product Description
Catalog Number:
AG000UN9
Chemical Name:
1H-Indene-1,3(2H)-dione, 5-bromo-2-(4-bromo-3-hydroxy-2-quinolinyl)-
CAS Number:
130563-64-3
Molecular Formula:
C18H9Br2NO3
Molecular Weight:
447.0770
IUPAC Name:
5-bromo-2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
InChI:
InChI=1S/C18H9Br2NO3/c19-8-5-6-9-11(7-8)17(23)13(16(9)22)15-18(24)14(20)10-3-1-2-4-12(10)21-15/h1-7,13,24H
InChI Key:
PWULGWMZAGCGTA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(C2=O)c1nc2ccccc2c(c1O)Br
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.893g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.082g/mol
Monoisotopic Mass:
444.895g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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