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98948-95-9 | 6-Bromo-4-hydroxyquinoline-3-carboxylic acid
CAS No: 98948-95-9 Catalog No: AG003N4E MDL No:MFCD01569278
Product Description
Catalog Number:
AG003N4E
Chemical Name:
6-Bromo-4-hydroxyquinoline-3-carboxylic acid
CAS Number:
98948-95-9
Molecular Formula:
C10H6BrNO3
Molecular Weight:
268.0635
MDL Number:
MFCD01569278
IUPAC Name:
6-bromo-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChI Key:
GIUZUAUCCUFVKW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)c(cn2)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.953g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.066g/mol
Monoisotopic Mass:
266.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. | Journal of medicinal chemistry 20061102 |
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