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189024-20-2 | Ethanone, 1-(3-benzoylpyrrolo[2,1-a]isoquinolin-1-yl)-
CAS No: 189024-20-2 Catalog No: AG002HPZ MDL No:
Product Description
Catalog Number:
AG002HPZ
Chemical Name:
Ethanone, 1-(3-benzoylpyrrolo[2,1-a]isoquinolin-1-yl)-
CAS Number:
189024-20-2
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
1-(3-benzoylpyrrolo[2,1-a]isoquinolin-1-yl)ethanone
InChI:
InChI=1S/C21H15NO2/c1-14(23)18-13-19(21(24)16-8-3-2-4-9-16)22-12-11-15-7-5-6-10-17(15)20(18)22/h2-13H,1H3
InChI Key:
QMQUWGFZFLKKIJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(n2c1c1ccccc1cc2)C(=O)c1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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