Home Halogens 8-chloroquinoline-2,4-dicarboxylic acid

8-chloroquinoline-2,4-dicarboxylic acid

CAS No.:
330646-88-3
Catalog Number:
AG01DHPD
Molecular Formula:
C11H6ClNO4
Molecular Weight:
251.6226
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Product Description
Catalog Number:
AG01DHPD
Chemical Name:
8-chloroquinoline-2,4-dicarboxylic acid
CAS Number:
330646-88-3
Molecular Formula:
C11H6ClNO4
Molecular Weight:
251.6226
MDL Number:
MFCD00487563
IUPAC Name:
8-chloroquinoline-2,4-dicarboxylic acid
InChI:
InChI=1S/C11H6ClNO4/c12-7-3-1-2-5-6(10(14)15)4-8(11(16)17)13-9(5)7/h1-4H,(H,14,15)(H,16,17)
InChI Key:
CYBPXAPZONTLOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2Cl)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:
250.999g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.622g/mol
Monoisotopic Mass:
250.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.5A^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
Properties