AG00375I

5919-26-6 | 2-nitro-1H-pyrrole

AG00375I

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CAS Number	5919-26-6
Catalog Number	AG00375I(AGN-PC-03FSX6)
Chemical Name	2-nitro-1H-pyrrole
IUPAC Name	2-nitro-1H-pyrrole
InChI	InChI=1S/C4H4N2O2/c7-6(8)4-2-1-3-5-4/h1-3,5H
InChI Key	FTBBGQKRYUTLMP-UHFFFAOYSA-N
MDL Number	MFCD12923841
Molecular Formula	C4H4N2O2
Molecular Weight	112.0868
NSC Number	87241
SMILES	[N+](=O)([O-])C=1NC=CC1
Synonyms	2-nitropyrrole, 2-nitro-1H-pyrrole, 5919-26-6, 2-Nitropyrrole, 1H-Pyrrole, 2-nitro-, Pyrrole, 2-nitro-, 1H-Pyrrole, 2-nitro- (9CI), AK-77322, nitroazole, Alpha-Nitropyrrole, NSC 87241, AC1Q1GWZ, AC1L3X1L, SCHEMBL29064, Pyrrole, 2-nitro- (8CI), CHEMBL1651441, CTK1H1311, KS-00000IFY, DTXSID30207929, NSC87241, ZINC1561742, ANW-48961, MFCD12923841, NSC-87241, AKOS006352081, AKOS015920232, AKOS025394764, CS-W006647, FCH3751377, AJ-27060, BR-77322, CJ-05358, DS-17048, SC-50753, AB0025704, AX8168589, DB-072601, TC-137706, 4CH-009267, FT-0746547, ST24028117, W7207, S-7073, C4H4N2O2, C4-H4-N2-O2, CID96706, AR-1E4426, 608-32-2,

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	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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