4-methyl-5-nitro-1H-indole


Chemical Name: 4-methyl-5-nitro-1H-indole
CAS Number: 165250-69-1
Product Number: AG001W0W(AGN-PC-00PAA8)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
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

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NMR Spectrum


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