methyl 3-nitro-4-pyrrol-1-ylbenzoate


Chemical Name: methyl 3-nitro-4-pyrrol-1-ylbenzoate
CAS Number: 937601-90-6
Product Number: AG00IHSR(AGN-PC-01XG3Z)
Synonyms:
MDL No:
Molecular Formula: C12H10N2O4
Molecular Weight: 246.2188

Identification/Properties


Computed Properties
Molecular Weight:
246.222g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
246.064g/mol
Monoisotopic Mass:
246.064g/mol
Topological Polar Surface Area:
77A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
323
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


NMR Spectrum


Other Analytical Data


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