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101617-64-5 | 3-Quinolinecarbonitrile, 2-chloro-4-ethyl-
CAS No: 101617-64-5 Catalog No: AG0004ZE MDL No:
Product Description
Catalog Number:
AG0004ZE
Chemical Name:
3-Quinolinecarbonitrile, 2-chloro-4-ethyl-
CAS Number:
101617-64-5
Molecular Formula:
C12H9ClN2
Molecular Weight:
216.6663
IUPAC Name:
2-chloro-4-ethylquinoline-3-carbonitrile
InChI:
InChI=1S/C12H9ClN2/c1-2-8-9-5-3-4-6-11(9)15-12(13)10(8)7-14/h3-6H,2H2,1H3
InChI Key:
ATPCYFPDBTVACV-UHFFFAOYSA-N
SMILES:
CCc1c(C#N)c(Cl)nc2c1cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.668g/mol
Monoisotopic Mass:
216.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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