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205448-66-4 | 6-Quinolinecarboxylic acid, 4-chloro-7-methoxy-, methyl ester
CAS No: 205448-66-4 Catalog No: AG002A2T MDL No:MFCD17016133
Product Description
Catalog Number:
AG002A2T
Chemical Name:
6-Quinolinecarboxylic acid, 4-chloro-7-methoxy-, methyl ester
CAS Number:
205448-66-4
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD17016133
IUPAC Name:
methyl 4-chloro-7-methoxyquinoline-6-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3
InChI Key:
DDDSGYZATMCUDW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(Cl)ccnc2cc1OC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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