AG0062JA

67903-53-1 | 5-Nitro-1H-pyrrole-2-carbonitrile

AG0062JA

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CAS Number	67903-53-1
Catalog Number	AG0062JA(AGN-PC-03B6OS)
Chemical Name	5-Nitro-1H-pyrrole-2-carbonitrile
IUPAC Name	5-nitro-1H-pyrrole-2-carbonitrile
InChI	InChI=1S/C5H3N3O2/c6-3-4-1-2-5(7-4)8(9)10/h1-2,7H
InChI Key	ZVVCRSWBCOBPKF-UHFFFAOYSA-N
MDL Number	MFCD12400724
Molecular Formula	C5H3N3O2
Molecular Weight	137.0962
SMILES	[O-][N+](=O)C1=CC=C(N1)C#N
Synonyms	5-Nitro-1H-pyrrole-2-carbonitrile, 67903-53-1, 1H-Pyrrole-2-carbonitrile, 5-nitro-, 5-nitropyrrole-2carbonitrile, 5-nitropyrrole-2-carbonitrile, SCHEMBL8871299, CTK8C1296, DTXSID10614258, ZVVCRSWBCOBPKF-UHFFFAOYSA-N, ANW-66205, FCH923609, KM1154, MFCD12400724, ZINC44136698, AKOS006345561, AB0038157, AJ-109293, AX8236430, TC-154950, Y5513, C5H3N3O2, 5-nitro-1H-pyrrole-2-carbonitrile, 95% - 1G 1g,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.023g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	137.098g/mol
Monoisotopic Mass	137.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	85.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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