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250641-14-6 | 2,4-Quinolinedicarboxylic acid, 6-bromo-
CAS No: 250641-14-6 Catalog No: AG002QC0 MDL No:MFCD00487568
Product Description
Catalog Number:
AG002QC0
Chemical Name:
2,4-Quinolinedicarboxylic acid, 6-bromo-
CAS Number:
250641-14-6
Molecular Formula:
C11H6BrNO4
Molecular Weight:
296.0736
MDL Number:
MFCD00487568
IUPAC Name:
6-bromoquinoline-2,4-dicarboxylic acid
InChI:
InChI=1S/C11H6BrNO4/c12-5-1-2-8-6(3-5)7(10(14)15)4-9(13-8)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChI Key:
DEAWSKJTMZXPBZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cc(n2)C(=O)O)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.948g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.076g/mol
Monoisotopic Mass:
294.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro pharmacology of substituted quinoline-2,4-dicarboxylic acids as inhibitors of vesicular glutamate transport. | Journal of medicinal chemistry 20020523 |
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