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89479-60-7 | 3-Quinolinecarbonitrile, 7-chloro-1,2-dihydro-2-oxo-1-(phenylmethyl)-
CAS No: 89479-60-7 Catalog No: AG0042EB MDL No:
Product Description
Catalog Number:
AG0042EB
Chemical Name:
3-Quinolinecarbonitrile, 7-chloro-1,2-dihydro-2-oxo-1-(phenylmethyl)-
CAS Number:
89479-60-7
Molecular Formula:
C17H11ClN2O
Molecular Weight:
294.7350
IUPAC Name:
1-benzyl-7-chloro-2-oxoquinoline-3-carbonitrile
InChI:
InChI=1S/C17H11ClN2O/c18-15-7-6-13-8-14(10-19)17(21)20(16(13)9-15)11-12-4-2-1-3-5-12/h1-9H,11H2
InChI Key:
MEDWVYPLGBFKIF-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccc(cc2n(c1=O)Cc1ccccc1)Cl
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.738g/mol
Monoisotopic Mass:
294.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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