AG003JTY

5930-94-9 | 3-nitro-1H-pyrrole

AG003JTY

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	5930-94-9
Catalog Number	AG003JTY(AGN-PC-03FSXH)
Chemical Name	3-nitro-1H-pyrrole
IUPAC Name	3-nitro-1H-pyrrole
InChI	InChI=1S/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H
InChI Key	LOJNBPNACKZWAI-UHFFFAOYSA-N
MDL Number	MFCD00059714
Molecular Formula	C4H4N2O2
Molecular Weight	112.0868
SMILES	[O-][N+](=O)C1=CNC=C1
Synonyms	3-nitropyrrole, 3-Nitropyrrole, 3-Nitro-1H-pyrrole, 5930-94-9, 1H-Pyrrole, 3-nitro-, LOJNBPNACKZWAI-UHFFFAOYSA-N, AK-82340, Beta-Nitropyrrole, 3-nitro-1H-pyrole, PubChem22365, ACMC-1AMTG, AI3-34175, AC1L3RYX, 3-Nitro-1H-pyrrole #, SCHEMBL28818, CHEMBL1651442, CTK1H4096, LOJNBPNACKZWAI-UHFFFAOYSA-, DTXSID80208042, ZINC2527916, 8828AB, ANW-33223, FCH919146, KM0297, MFCD00059714, AKOS006229842, AC-4409, ACN-048607, CS-W008547, TRA0022833, KS-00000E05, AJ-38189, AN-12021, AS-31257, CJ-08998, SC-26912, SY004596, AB0050742, AX8088613, TR-020582, 4CH-003613, FT-0694661, N0502, ST24042368, MFCD00059714 (97+%), C-44516, I14-17457, InChI=1/C4H4N2O2/c7-6(8)4-1-2-5-3-4/h1-3,5H, Pyrrole, 3-nitro-, C4H4N2O2, 1H-Pyrrole, 3-nitro- (9CI), C4-H4-N2-O2, CID145813,

Complexity	98.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.027g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.088g/mol
Monoisotopic Mass	112.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number