1H-Indole, 4-[(1E)-2-nitroethenyl]-


Chemical Name: 1H-Indole, 4-[(1E)-2-nitroethenyl]-
CAS Number: 851192-48-8
Product Number: AG008GEI(AGN-PC-0OJNJA)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827

Identification/Properties


Computed Properties
Molecular Weight:
188.186g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
188.059g/mol
Monoisotopic Mass:
188.059g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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