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101617-94-1,MFCD00833327
Catalog No.:AA0004WK
101617-94-1 | 2-Chloro-4-methylquinoline-3-carbonitrile
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004WK
Chemical Name:
2-Chloro-4-methylquinoline-3-carbonitrile
CAS Number:
101617-94-1
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
MDL Number:
MFCD00833327
IUPAC Name:
2-chloro-4-methylquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2/c1-7-8-4-2-3-5-10(8)14-11(12)9(7)6-13/h2-5H,1H3
InChI Key:
UTBTZPFJZNOSLP-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc2c(c1C)cccc2
Properties
Computed Properties
 
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.641g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-chloro-4-methylquinoline-3-carbonitrile 
101617-94-1 
DTXSID10384166 
ZINC166868 
ALBB-013567 
ZX-AN012342 
ZX-AT018459 
ANW-48773 
BBL035692 
MFCD00833327 
SBB093021 
STL442768 
2-Chloro-4-methyl-quinoline-3-carbonitrile 
AKOS005174064 
AS-8813 
FCH1322093 
OR30030 
RP25965 
AC-28411 
AJ-16551 
BR-39949 
CC-09994 
ZB008698 
3-Quinolinecarbonitrile,2-chloro-4-methyl- 
AB0034413 
AX8073026 
ST2416719 
TC-137518 
FT-0642455 
X8566 
EN300-171909 
S-4769 
C-32556 
J-508769 
3-Quinolinecarbonitrile, 2-chloro-4-methyl- 
C11H7ClN2 
ZINC00166868 
CID2800491 
PubChem23833 
AC1MCT5R 
ACMC-209yc7 
SCHEMBL4744765 
CTK4A0016 
Literature

Title: Selenium-containing heterocycles: synthesis and pharmacological activities of some new 4-methylquinoline-2(1H) selenone derivatives.

Journal: Archiv der Pharmazie 20080401

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