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Home > Indoles and Oxindole > 78662-39-2
78662-39-2 | 2H-Indol-2-one, 1,3-dihydro-3-[(3-nitrophenyl)imino]-
CAS No: 78662-39-2 Catalog No: AG005K0J MDL No:
Product Description
Catalog Number:
AG005K0J
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-[(3-nitrophenyl)imino]-
CAS Number:
78662-39-2
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
IUPAC Name:
3-(3-nitrophenyl)imino-1H-indol-2-one
InChI:
InChI=1S/C14H9N3O3/c18-14-13(11-6-1-2-7-12(11)16-14)15-9-4-3-5-10(8-9)17(19)20/h1-8H,(H,15,16,18)
InChI Key:
PIUWEYFCGBZZMB-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Nc1cccc(c1)[N+](=O)[O-])cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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