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10174-70-6 | 2-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-
CAS No: 10174-70-6 Catalog No: AG0005DE MDL No:
Product Description
Catalog Number:
AG0005DE
Chemical Name:
2-Quinolinecarboxylic acid, 6-bromo-4-hydroxy-
CAS Number:
10174-70-6
Molecular Formula:
C10H6BrNO3
Molecular Weight:
268.0635
IUPAC Name:
6-bromo-4-oxo-1H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C10H6BrNO3/c11-5-1-2-7-6(3-5)9(13)4-8(12-7)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChI Key:
NYSWHDCWDSWVAJ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)cc(n2)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
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