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1017788-66-7,MFCD12962824
Catalog No.:AA0005GG
1017788-66-7 | 3-Quinolinecarbonitrile, 4-chloro-7-hydroxy-
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250mg
95%
1 week  
$512.00
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1g
95%
1 week  
$1,217.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005GG
Chemical Name:
3-Quinolinecarbonitrile, 4-chloro-7-hydroxy-
CAS Number:
1017788-66-7
Molecular Formula:
C10H5ClN2O
Molecular Weight:
204.6125
MDL Number:
MFCD12962824
IUPAC Name:
4-chloro-7-hydroxyquinoline-3-carbonitrile
InChI:
InChI=1S/C10H5ClN2O/c11-10-6(4-12)5-13-9-3-7(14)1-2-8(9)10/h1-3,5,14H
InChI Key:
ATENTCYDIFPJRQ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1Cl)ccc(c2)O
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.613g/mol
Monoisotopic Mass:
204.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1017788-66-7 
4-Chloro-7-hydroxyquinoline-3-carbonitrile 
AK140767 
AS-37301 
AB0061535 
AX8266775 
4-chloro-7-oxo-1H-quinoline-3-carbonitrile 
3-Quinolinecarbonitrile, 4-chloro-7-hydroxy- 
X-1047 
4-Chloro-7-oxo-1,7-dihydroquinoline-3-carbonitrile 
4-Chloro-7-hydroxy-quinoline-3-carbonitrile 
SCHEMBL20480713 
DTXSID80650688 
MFCD09261347 
ZINC16697526 
AKOS022173014 
FCH1391979 
AJ-69365 
Literature
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