3-Nitropyrrole

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Catalog Number

ACM5930949

Product Name

3-Nitropyrrole

Structure

CAS

5930-94-9

Category

Heterocyclic Organic Compound

IUPAC Name

3-nitro-1H-pyrrole

Molecular Weight

112.09g/mol

Molecular Formula

C4H4N2O2

Canonical SMILES

C1=CNC=C1[N+](=O)[O-]

InChI

InChI=1S/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H

InChI Key

LOJNBPNACKZWAI-UHFFFAOYSA-N

Complexity

98.7

Covalently-Bonded Unit Count

Exact Mass

112.027277g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

112.027277g/mol

Rotatable Bond Count

XLogP3

0.5

MSDS

COA

Spec Sheet

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