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112010-83-0 | Acetamide, N-(2,3-dihydro-3-oxo-1-phenyl-4-isoquinolinyl)-
CAS No: 112010-83-0 Catalog No: AG007UX5 MDL No:
Product Description
Catalog Number:
AG007UX5
Chemical Name:
Acetamide, N-(2,3-dihydro-3-oxo-1-phenyl-4-isoquinolinyl)-
CAS Number:
112010-83-0
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
N-(3-oxo-1-phenyl-2H-isoquinolin-4-yl)acetamide
InChI:
InChI=1S/C17H14N2O2/c1-11(20)18-16-14-10-6-5-9-13(14)15(19-17(16)21)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20)(H,19,21)
InChI Key:
WUOHOJKHSVPLQU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(=O)[nH]c(c2c1cccc2)c1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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