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16220-22-7 | 8-Quinolinecarboxylic acid, 5-chloro-, methyl ester
CAS No: 16220-22-7 Catalog No: AG001SVT MDL No:
Product Description
Catalog Number:
AG001SVT
Chemical Name:
8-Quinolinecarboxylic acid, 5-chloro-, methyl ester
CAS Number:
16220-22-7
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
methyl 5-chloroquinoline-8-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)8-4-5-9(12)7-3-2-6-13-10(7)8/h2-6H,1H3
InChI Key:
UOABXDXNLKXCKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1nccc2)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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