Home Carboxys 6-Chloro-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

6-Chloro-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

CAS No.:
23789-98-2
Catalog Number:
AG00JB51
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
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Product Description
Catalog Number:
AG00JB51
Chemical Name:
6-Chloro-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
CAS Number:
23789-98-2
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD08337835
IUPAC Name:
6-chloro-1-methyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C11H8ClNO3/c1-13-5-8(11(15)16)10(14)7-4-6(12)2-3-9(7)13/h2-5H,1H3,(H,15,16)
InChI Key:
LJLOUFZTLYUARB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(cn2C)C(=O)O
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties