AG002ZTG

3034-38-6 | 1H-Imidazole, 5-nitro-

AG002ZTG

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CAS Number	3034-38-6
Catalog Number	AG002ZTG(AGN-PC-0O8QQY)
Chemical Name	1H-Imidazole, 5-nitro-
EC Number	221-224-7
IUPAC Name	5-nitro-1H-imidazole
InChI	InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChI Key	VYDWQPKRHOGLPA-UHFFFAOYSA-N
MDL Number	MFCD00005196
Molecular Formula	C3H3N3O2
Molecular Weight	113.0748
NSC Number	50359
SMILES	[N+](=O)([O-])C=1N=CNC1
UNII	Y8U32AZ5O7
Synonyms	4-nitroimidazole, 5-nitroimidazole, 4-Nitroimidazole, 3034-38-6, 4-NITRO-1H-IMIDAZOLE, 5-Nitro-1H-imidazole, 1H-Imidazole, 4-nitro-, 5-Nitroimidazole, 4(5)-Nitroimidazole, Imidazole, 4-nitro-, 1H-Imidazole, 5-nitro-, UNII-Y8U32AZ5O7, 5(4)-nitroimidazole, 4-nitro-3H-imidazole, EINECS 221-224-7, MFCD00005196, NSC 50359, 100214-79-7, AI3-60154, Y8U32AZ5O7, CHEBI:64635, VYDWQPKRHOGLPA-UHFFFAOYSA-N, 4-Nitroimidazole, 98%, 88054-21-1, 1H-4-Nitroimidazole, 4-nitro-imidazole, 1H-5-Nitroimidazole, PubChem7615, ACMC-1AIMC, CL 205086, 4-Nitroimidazole, 97%, EC 221-224-7, AC1L2BK6, AC1Q1Y8G, SCHEMBL44903, KSC490O6R, MLS001304931, Imidazole, 4(or 5)-nitro-, 4-Nitro-1H-imidazole-1-ide, CHEMBL135599, 4-Nitro-1H-imidazole (9CI), Jsp005725, DTXSID9062803, CTK3B9054, CTK3J0768, HMS2234E17, HMS3374L01, ACT04796, EBD28386, KS-00000DF7, NSC50359, STR08114, ZERO/008337, ANW-26845, BBL027506, NSC-50359, SBB004318, STK793006, ZINC12358712, AKOS000561522, AKOS003613147, AC-1213, ACN-000262, AN-6859, CS-W019995, MCULE-1767260490, PS-4383, RP00575, RTR-013048, TRA0022827, VI10009, NCGC00247072-01, AK-34599, BC212522, BC220076, BR-34599, LS-78838, SC-03278, SC-45430, SMR000420248, SY001473, AB1005799, DB-002578, ST2411575, TL8002339, TR-013048, A5584, AK00739662, AM20090417, FT-0619234, Metronidazole Impurtiy B (4-Nitroimidazole), N0506, ST50410938, MFCD00005196 (98%), M-6903, AB00374225-05, AB00374225-07, 034N386, 4-Nitroimidazole, Vetec(TM) reagent grade, 97%, AB-323/25048517, I14-0319, W-106949, F1791-0019, Z235345333, InChI=1/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5, null, Metronidazole Impurity B, C3H3N3O2, C3-H3-N3-O2, CID18208, ACN-040587, CS-M-56653, 4-Nitroimidazole, 98% - 100G 100g,

Complexity	99.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.023g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.076g/mol
Monoisotopic Mass	113.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number