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140646-25-9 | 3-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-, Methyl ester
CAS No: 140646-25-9 Catalog No: AG001CN9 MDL No:MFCD08436144
Product Description
Catalog Number:
AG001CN9
Chemical Name:
3-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-, Methyl ester
CAS Number:
140646-25-9
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD08436144
IUPAC Name:
methyl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C11H8ClNO3/c1-16-11(15)8-5-13-9-4-6(12)2-3-7(9)10(8)14/h2-5H,1H3,(H,13,14)
InChI Key:
RHMSLHBNAZRSIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1O)ccc(c2)Cl
Properties
Complexity:
353
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:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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