2H-Indol-2-one, 1,3-dihydro-5-nitro-


Chemical Name: 2H-Indol-2-one, 1,3-dihydro-5-nitro-
CAS Number: 20870-79-5
Product Number: AG002JUO(AGN-PC-0JO8QB)
Synonyms:
MDL No: MFCD00456999
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448

Identification/Properties


Computed Properties
Molecular Weight:
178.147g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
178.038g/mol
Monoisotopic Mass:
178.038g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335-H412
Precautionary Statements:
P261-P273-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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