3-Nitropyrrole - CAS 5930-94-9

Catalog:	BB030336
Product Name:	3-Nitropyrrole
CAS:	5930-94-9
Synonyms:	3-nitro-1H-pyrrole; 3-nitro-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	3-nitro-1H-pyrrole
Description:	3-Nitropyrrole (CAS# 5930-94-9) is a useful research chemical.
Molecular Weight:	112.09
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
Boiling Point:	267.9 °C at 760 mmHg
Density:	1.408 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
MDL:	MFCD00059714
LogP:	1.44610

Publication Number	Title	Priority Date
CN-112094215-A	Method for synthesizing 3-aminopyrrolidine hydrochloride by one-pot method	20201102
CN-112094215-B	Method for synthesizing 3-aminopyrrolidine hydrochloride by one-pot method	20201102
CN-112174266-A	Method for preparing bionic electropolymerization layer at constant potential in one step and application of bionic electropolymerization layer in degradation of printing and dyeing wastewater	20201015
WO-2021210408-A1	Method for producing nucleic acid oligomer	20200414
WO-2021210409-A1	Composition containing nucleic acid oligomer	20200414

PMID	Publication Date	Title	Journal
21090803	20101227	Nitropyrrolins A-E, cytotoxic farnesyl-α-nitropyrroles from a marine-derived bacterium within the actinomycete family Streptomycetaceae	Journal of natural products
19159294	20090201	Cationic nucleoside lipids based on a 3-nitropyrrole universal base for siRNA delivery	Bioconjugate chemistry
17880093	20071011	Multicomponent domino [4+2]/[3+2] cycloadditions of nitroheteroaromatics: an efficient synthesis of fused nitrogenated polycycles	Organic letters
15842178	20050601	Computational evaluation of intermolecular interactions of a universal base 3-nitropyrrole in stacked dimers and DNA duplexes	Journal of biomolecular structure & dynamics
15281364	20040501	Improved allelic differentiation using sequence-specific oligonucleotide hybridization incorporating an additional base-analogue mismatch	Nucleosides, nucleotides & nucleic acids

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Complexity:	98.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.027277375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.027277375
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5