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27568-05-4 | 3-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl ester
CAS No: 27568-05-4 Catalog No: AG002U3N MDL No:MFCD00173395
Product Description
Catalog Number:
AG002U3N
Chemical Name:
3-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl ester
CAS Number:
27568-05-4
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD00173395
IUPAC Name:
ethyl 4-chloro-8-methoxyquinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO3/c1-3-18-13(16)9-7-15-12-8(11(9)14)5-4-6-10(12)17-2/h4-7H,3H2,1-2H3
InChI Key:
BBOZDELEERNECG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cccc2OC
NSC Number:
196906
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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