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130563-63-2 | 1H-Indene-1,3(2H)-dione, 2-(4,6-dibromo-3-hydroxy-2-quinolinyl)-
CAS No: 130563-63-2 Catalog No: AG000UNA MDL No:
Product Description
Catalog Number:
AG000UNA
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(4,6-dibromo-3-hydroxy-2-quinolinyl)-
CAS Number:
130563-63-2
Molecular Formula:
C18H9Br2NO3
Molecular Weight:
447.0770
IUPAC Name:
2-(4,6-dibromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
InChI:
InChI=1S/C18H9Br2NO3/c19-8-5-6-12-11(7-8)14(20)18(24)15(21-12)13-16(22)9-3-1-2-4-10(9)17(13)23/h1-7,13,24H
InChI Key:
QRIOJNPAFJLRNW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(Br)c(c(n2)C1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
518
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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