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69323-63-3 | 1H-Benz[f]indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-
CAS No: 69323-63-3 Catalog No: AG006GEN MDL No:
Product Description
Catalog Number:
AG006GEN
Chemical Name:
1H-Benz[f]indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-
CAS Number:
69323-63-3
Molecular Formula:
C22H12BrNO3
Molecular Weight:
418.2396
IUPAC Name:
2-(4-bromo-3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
InChI:
InChI=1S/C22H12BrNO3/c23-18-13-7-3-4-8-16(13)24-19(22(18)27)17-20(25)14-9-11-5-1-2-6-12(11)10-15(14)21(17)26/h1-10,17,27H
InChI Key:
OQRFTYLJTOVXBW-UHFFFAOYSA-N
SMILES:
O=C1c2cc3ccccc3cc2C(=O)C1c1nc2ccccc2c(c1O)Br
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.246g/mol
Monoisotopic Mass:
417g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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