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161405-29-4 | 3-Quinolinecarboxylic acid, 8-bromo-4-hydroxy-5-methoxy-
CAS No: 161405-29-4 Catalog No: AG001SFN MDL No:
Product Description
Catalog Number:
AG001SFN
Chemical Name:
3-Quinolinecarboxylic acid, 8-bromo-4-hydroxy-5-methoxy-
CAS Number:
161405-29-4
Molecular Formula:
C11H8BrNO4
Molecular Weight:
298.0895
IUPAC Name:
8-bromo-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H8BrNO4/c1-17-7-3-2-6(12)9-8(7)10(14)5(4-13-9)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChI Key:
QNJRBHUZWQYNES-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(O)c(cn2)C(=O)O)Br
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.964g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.092g/mol
Monoisotopic Mass:
296.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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