AG003MWQ

5006-68-8 | 2-(5-Nitro-1H-imidazol-1-yl)ethanol

AG003MWQ

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CAS Number	5006-68-8
Catalog Number	AG003MWQ(AGN-PC-0KR5L1)
Chemical Name	2-(5-Nitro-1H-imidazol-1-yl)ethanol
IUPAC Name	2-(5-nitroimidazol-1-yl)ethanol
InChI	InChI=1S/C5H7N3O3/c9-2-1-7-4-6-3-5(7)8(10)11/h3-4,9H,1-2H2
InChI Key	DFMZECOLZRIPOT-UHFFFAOYSA-N
MDL Number	MFCD00159670
Molecular Formula	C5H7N3O3
Molecular Weight	157.1274
SMILES	OCCN1C([N+]([O-])=O)=CN=C1
UNII	M69F775144
Synonyms	5006-68-8, 2-(5-Nitro-1H-imidazol-1-yl)ethanol, 5-Nitro-1H-imidazole-1-ethanol, 1H-Imidazole-1-ethanol, 5-nitro-, 2-(5-nitroimidazol-1-yl)ethanol, UNII-M69F775144, 1-(2-Hydroxyethyl)-5-nitroimidazole, M69F775144, 1-(2-hydroxyethyl) 5-nitroimidazole, Imidazole-1-ethanol, 5-nitro-, Metronidazole impurity D [USP-MC], Metronidazole Impurity D, AC1MN2XD, SCHEMBL5878432, CTK1E5994, DTXSID30390623, ZINC3091270, 2-(5-nitro-1-imidazolyl)-1-ethanol, AKOS023569582, ACM5006688, FCH1142221, MCULE-7833038932, TRA0066751, FT-0672796, CID3248693,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.049g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.129g/mol
Monoisotopic Mass	157.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number