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25791-28-0 | 2H-Indol-2-one,1,3-dihydro-1-(phenylmethyl)-3-(2-pyridinylmethylene)-
CAS No: 25791-28-0 Catalog No: AG007LZF MDL No:
Product Description
Catalog Number:
AG007LZF
Chemical Name:
2H-Indol-2-one,1,3-dihydro-1-(phenylmethyl)-3-(2-pyridinylmethylene)-
CAS Number:
25791-28-0
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
IUPAC Name:
1-benzyl-3-(pyridin-2-ylmethylidene)indol-2-one
InChI:
InChI=1S/C21H16N2O/c24-21-19(14-17-10-6-7-13-22-17)18-11-4-5-12-20(18)23(21)15-16-8-2-1-3-9-16/h1-14H,15H2
InChI Key:
JTIJCYLXTMNCNM-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)c2c(C1=Cc1ccccn1)cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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