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402481-28-1 | 3-(1-benzofuran-2-yl)-3-oxo-2-(quinolin-2-yl)propanenitrile
CAS No: 402481-28-1 Catalog No: AG01C1I7 MDL No:MFCD02713148
Product Description
Catalog Number:
AG01C1I7
Chemical Name:
3-(1-benzofuran-2-yl)-3-oxo-2-(quinolin-2-yl)propanenitrile
CAS Number:
402481-28-1
Molecular Formula:
C20H12N2O2
Molecular Weight:
312.3215
MDL Number:
MFCD02713148
IUPAC Name:
3-(1-benzofuran-2-yl)-3-oxo-2-quinolin-2-ylpropanenitrile
InChI:
InChI=1S/C20H12N2O2/c21-12-15(17-10-9-13-5-1-3-7-16(13)22-17)20(23)19-11-14-6-2-4-8-18(14)24-19/h1-11,15H
InChI Key:
NBGDZCDUNGRROS-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cc2c(o1)cccc2)c1ccc2c(n1)cccc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.328g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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