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114858-39-8 | 3-Quinolinecarboxylic acid, 6-chloro-2-methyl-, ethyl ester
CAS No: 114858-39-8 Catalog No: AG000FC3 MDL No:
Product Description
Catalog Number:
AG000FC3
Chemical Name:
3-Quinolinecarboxylic acid, 6-chloro-2-methyl-, ethyl ester
CAS Number:
114858-39-8
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
IUPAC Name:
ethyl 6-chloro-2-methylquinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3
InChI Key:
KZZFZNSEHULNFN-UHFFFAOYSA-N
SMILES:
Cc1nc2ccc(cc2cc1C(=O)OCC)Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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