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1016818-79-3,MFCD09948299
Catalog No.:AA00053V
1016818-79-3 | 4-Chloro-6-methylquinoline-3-carbonitrile
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Technical Information
Catalog Number:
AA00053V
Chemical Name:
4-Chloro-6-methylquinoline-3-carbonitrile
CAS Number:
1016818-79-3
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
MDL Number:
MFCD09948299
IUPAC Name:
4-chloro-6-methylquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2/c1-7-2-3-10-9(4-7)11(12)8(5-13)6-14-10/h2-4,6H,1H3
InChI Key:
ASARHBUDRKPMIE-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1Cl)cc(cc2)C
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:
2.9  

Synonyms
 
4-chloro-6-methylquinoline-3-carbonitrile 
1016818-79-3 
NE58084 
AJ-73872 
AX8289585 
DB-058645 
3-Quinolinecarbonitrile, 4-chloro-6-methyl- 
FT-0748052 
Z1982493852 
C11H7ClN2 
4-CHLORO-6-METHYL-QUINOLINE-3-CARBONITRILE 
EN300-83049 
DTXSID50640955 
2786AJ 
ZINC19513991 
AKOS000193772 
BBV-085986 
FCH5613723 
Literature
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