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1270739-12-2 | 5-benzoylisoquinoline
CAS No: 1270739-12-2 Catalog No: AG019ZCD MDL No:MFCD17393685
Product Description
Catalog Number:
AG019ZCD
Chemical Name:
5-benzoylisoquinoline
CAS Number:
1270739-12-2
MDL Number:
MFCD17393685
IUPAC Name:
isoquinolin-5-yl(phenyl)methanone
InChI:
InChI=1S/C16H11NO/c18-16(12-5-2-1-3-6-12)15-8-4-7-13-11-17-10-9-14(13)15/h1-11H
InChI Key:
DOZLCLPBMORBQL-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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