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86209-35-0 | 6-Chloro-2-hydroxyquinoline-3-carboxylic acid
CAS No: 86209-35-0 Catalog No: AG004NK2 MDL No:MFCD03839902
Product Description
Catalog Number:
AG004NK2
Chemical Name:
6-Chloro-2-hydroxyquinoline-3-carboxylic acid
CAS Number:
86209-35-0
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
MDL Number:
MFCD03839902
IUPAC Name:
6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6ClNO3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8/h1-4H,(H,12,13)(H,14,15)
InChI Key:
XCWIXLMCHFBXLT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(c(n2)O)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:
223.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.612g/mol
Monoisotopic Mass:
223.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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