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114935-94-3 | Ethanone, 1-(4-chloro-8-quinolinyl)-
CAS No: 114935-94-3 Catalog No: AG000FGF MDL No:
Product Description
Catalog Number:
AG000FGF
Chemical Name:
Ethanone, 1-(4-chloro-8-quinolinyl)-
CAS Number:
114935-94-3
Molecular Formula:
C11H8ClNO
Molecular Weight:
205.6403
IUPAC Name:
1-(4-chloroquinolin-8-yl)ethanone
InChI:
InChI=1S/C11H8ClNO/c1-7(14)8-3-2-4-9-10(12)5-6-13-11(8)9/h2-6H,1H3
InChI Key:
SNJFKOKVDXAUSI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1nccc2Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.641g/mol
Monoisotopic Mass:
205.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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