AG005F38

81246-34-6 | 5-Nitro-1H-imidazole-4-carbaldehyde

AG005F38

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CAS Number	81246-34-6
Catalog Number	AG005F38(AGN-PC-0OIIHT)
Chemical Name	5-Nitro-1H-imidazole-4-carbaldehyde
IUPAC Name	5-nitro-1H-imidazole-4-carbaldehyde
InChI	InChI=1S/C4H3N3O3/c8-1-3-4(7(9)10)6-2-5-3/h1-2H,(H,5,6)
InChI Key	HVGCOWLYQUZAIM-UHFFFAOYSA-N
MDL Number	MFCD09743898
Molecular Formula	C4H3N3O3
Molecular Weight	141.0849
SMILES	[O-][N+](=O)C1=C(C=O)N=CN1
Synonyms	5-Nitro-1H-imidazole-4-carbaldehyde, 81246-34-6, 4-nitro-1H-imidazole-5-carbaldehyde, 5-Nitro-1h-imidazole-4-carboxaldehyde, AK-55153, AC1LBA3X, CTK7H7815, CTK8C2728, DTXSID10342160, HVGCOWLYQUZAIM-UHFFFAOYSA-N, KS-000003ZE, 2616AC, ANW-68922, FCH833068, MFCD09743898, ZINC32147215, 5-NITRO-4-IMIDAZOLE ALDEHYDE, AKOS006230539, 5-Nitroimidazole-4(1H)-carboxaldehyde, PB20370, 5-Nitro-1H-imidazole-4-carbaldehyde #, AJ-84771, AS-51864, AX8022707, TC-157667, CS-0050794, FT-0692557, ST24044908, 1H-Imidazole-4-carboxaldehyde,5-nitro-(9ci), W-3053, C4H3N3O3, CID579124, 1H-Imidazole-4-carboxaldehyde,5-nitro-,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.017g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.086g/mol
Monoisotopic Mass	141.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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