AG00HYOF

1615-42-5 | 1H-Imidazole-2-carbonitrile, 1-methyl-5-nitro-

AG00HYOF

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CAS Number	1615-42-5
Catalog Number	AG00HYOF(AGN-PC-00FAFF)
Chemical Name	1H-Imidazole-2-carbonitrile, 1-methyl-5-nitro-
IUPAC Name	1-methyl-5-nitroimidazole-2-carbonitrile
InChI	InChI=1S/C5H4N4O2/c1-8-4(2-6)7-3-5(8)9(10)11/h3H,1H3
InChI Key	NRIASBGSBPWHER-UHFFFAOYSA-N
MDL Number	MFCD21336309
Molecular Formula	C5H4N4O2
Molecular Weight	152.1109
SMILES	O=[N+](C1=CN=C(C#N)N1C)[O-]
Synonyms	1615-42-5, 1-methyl-5-nitro-1H-imidazole-2-carbonitrile, 1-methyl-5-nitroimidazole-2-carbonitrile, 1-METHYL-2-CYANO-5-NITRO-IMIDAZOLE, 1H-Imidazole-2-carbonitrile, 1-methyl-5-nitro-, SCHEMBL11720476, KS-00000TEH, DTXSID90471588, NRIASBGSBPWHER-UHFFFAOYSA-N, 1-methyl-5-nitro-2-cyanoimidazole, MFCD21336309, SC5107, ZINC36404104, AKOS015905560, AK200923, DA-17030, DS-10245, FT-0746102, I14-22531, CID11744813, 1-methyl-5-nitro-imidazole-2-carbonitrile,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.033g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.113g/mol
Monoisotopic Mass	152.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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