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114935-92-1 | 2-Quinolinecarboxylic acid, 4-chloro-, methyl ester
CAS No: 114935-92-1 Catalog No: AG000FGG MDL No:MFCD14706446
Product Description
Catalog Number:
AG000FGG
Chemical Name:
2-Quinolinecarboxylic acid, 4-chloro-, methyl ester
CAS Number:
114935-92-1
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD14706446
IUPAC Name:
methyl 4-chloroquinoline-2-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)10-6-8(12)7-4-2-3-5-9(7)13-10/h2-6H,1H3
InChI Key:
AAHYMHHQOLSODU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)cccc2
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
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