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892874-60-1,MFCD08437572
Catalog No.:AA0040WQ
892874-60-1 | 8-Chloroquinoline-2,3-dicarboxylic acid diethyl ester
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500mg
in stock  
$136.00   $95.00
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1g
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$208.00   $145.00
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2.5g
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$359.00   $252.00
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5g
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$565.00   $395.00
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10g
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$895.00   $627.00
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25g
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$1,654.00   $1,158.00
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50g
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$2,654.00   $1,858.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0040WQ
Chemical Name:
8-Chloroquinoline-2,3-dicarboxylic acid diethyl ester
CAS Number:
892874-60-1
Molecular Formula:
C15H14ClNO4
Molecular Weight:
307.7290
MDL Number:
MFCD08437572
IUPAC Name:
diethyl 8-chloroquinoline-2,3-dicarboxylate
InChI:
InChI=1S/C15H14ClNO4/c1-3-20-14(18)10-8-9-6-5-7-11(16)12(9)17-13(10)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
YBUQJEUWEYOPBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(Cl)cccc2cc1C(=O)OCC
Properties
Computed Properties
 
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.061g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.73g/mol
Monoisotopic Mass:
307.061g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
8-Chloroquinoline-2,3-dicarboxylic acid diethyl ester 
892874-60-1 
DB-078372 
diethyl 8-chloro-2,3-quinolinedicarboxylate 
diethyl 8-chloroquinoline-2,3-dicarboxylate 
RT-010905 
FT-0751651 
T6721 
Diethyl 8-chloro-2,3-quinolinedicarboxylate; 
8-Chloroquinoline-2,3-dicarboxylic acid diethyl ester, AldrichCPR 
CTK5G2803 
DTXSID70588880 
QU097 
MFCD08437572 
ZINC32099213 
AKOS027263547 
AB45119 
OR307841 
Literature
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