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Home > Indoles and Oxindole > 20870-79-5
20870-79-5 | 2H-Indol-2-one, 1,3-dihydro-5-nitro-
CAS No: 20870-79-5 Catalog No: AG002JUO MDL No:MFCD00456999
Product Description
Catalog Number:
AG002JUO
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-5-nitro-
CAS Number:
20870-79-5
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00456999
IUPAC Name:
5-nitro-1,3-dihydroindol-2-one
InChI:
InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)
InChI Key:
JQCGHRDKVZPCRO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| (Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide. | Acta crystallographica. Section E, Structure reports online 20120401 |
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