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1312226-28-0 | 2H-Indol-2-one, 1,3-dihydro-3-[[5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-
CAS No: 1312226-28-0 Catalog No: AG000VR9 MDL No:
Product Description
Catalog Number:
AG000VR9
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-[[5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-
CAS Number:
1312226-28-0
Molecular Formula:
C20H15N3O3
Molecular Weight:
345.3514
IUPAC Name:
3-[[5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
InChI:
InChI=1S/C20H15N3O3/c1-12-10-16(13-6-8-14(9-7-13)23(25)26)19(21-12)11-17-15-4-2-3-5-18(15)22-20(17)24/h2-11,21H,1H3,(H,22,24)
InChI Key:
RNGGWRKTRFASTF-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Cc1[nH]c(cc1c1ccc(cc1)[N+](=O)[O-])C)cccc2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.358g/mol
Monoisotopic Mass:
345.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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