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Home > Aldehydes > 917746-57-7
917746-57-7 | 8-Benzyl-2-chloro-quinoline-3-carbaldehyde
CAS No: 917746-57-7 Catalog No: AG01EZ4J MDL No:
Product Description
Catalog Number:
AG01EZ4J
Chemical Name:
8-Benzyl-2-chloro-quinoline-3-carbaldehyde
CAS Number:
917746-57-7
Molecular Formula:
C17H12ClNO
Molecular Weight:
281.7363
IUPAC Name:
8-benzyl-2-chloroquinoline-3-carbaldehyde
InChI:
InChI=1S/C17H12ClNO/c18-17-15(11-20)10-14-8-4-7-13(16(14)19-17)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChI Key:
NMPZJNNVBWUGFZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cccc(c2nc1Cl)Cc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.739g/mol
Monoisotopic Mass:
281.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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