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20335-71-1 | 4-benzoylisoquinoline
CAS No: 20335-71-1 Catalog No: AG015I66 MDL No:MFCD13153008
Product Description
Catalog Number:
AG015I66
Chemical Name:
4-benzoylisoquinoline
CAS Number:
20335-71-1
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
MDL Number:
MFCD13153008
IUPAC Name:
isoquinolin-4-yl(phenyl)methanone
InChI:
InChI=1S/C16H11NO/c18-16(12-6-2-1-3-7-12)15-11-17-10-13-8-4-5-9-14(13)15/h1-11H
InChI Key:
FURSVJGBZMRAHP-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccccc1
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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