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89479-57-2 | 3-Quinolinecarbonitrile, 6-chloro-1,2-dihydro-1-methyl-2-oxo-
CAS No: 89479-57-2 Catalog No: AG0042ED MDL No:
Product Description
Catalog Number:
AG0042ED
Chemical Name:
3-Quinolinecarbonitrile, 6-chloro-1,2-dihydro-1-methyl-2-oxo-
CAS Number:
89479-57-2
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
IUPAC Name:
6-chloro-1-methyl-2-oxoquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2O/c1-14-10-3-2-9(12)5-7(10)4-8(6-13)11(14)15/h2-5H,1H3
InChI Key:
NSRYARVYXZGNKM-UHFFFAOYSA-N
SMILES:
Cn1c2ccc(cc2cc(c1=O)C#N)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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