AG003HSP

527-73-1 | 2-nitro-1H-imidazole

AG003HSP

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CAS Number	527-73-1
Catalog Number	AG003HSP(AGN-PC-0JK9NS)
Chemical Name	2-nitro-1H-imidazole
EC Number	208-425-5
IUPAC Name	2-nitro-1H-imidazole
InChI	InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChI Key	YZEUHQHUFTYLPH-UHFFFAOYSA-N
MDL Number	MFCD00005185
Molecular Formula	C3H3N3O2
Molecular Weight	113.0748
NSC Number	105831
SMILES	O=[N+](C1=NC=CN1)[O-]
UNII	K8E96XL55D
Synonyms	azomycin, azomycin, monohydrofluoride, azomycin, sodium salt, Ro-59129-001, 2-Nitroimidazole, Azomycin, 527-73-1, 2-NITRO-1H-IMIDAZOLE, Amicin, nitroimidazole, 1H-Imidazole, 2-nitro-, Imidazole, 2-nitro-, Ro 05-9129, 2-Nitroimidazole, 98%, EINECS 208-425-5, MFCD00005185, NSC 105831, BRN 0116444, UNII-K8E96XL55D, Azomycin (2-Nitroimidazole), K8E96XL55D, CHEBI:67135, YZEUHQHUFTYLPH-UHFFFAOYSA-N, NSC105831, 11A, 2-Nitroimidazol, 2 -nitroimidazole, 2-nitro-imidazole, PubChem7616, AC1L1VRH, ACMC-1ATP5, WLN: T5M CNJ BNW, Azomycin - 2-Nitroimidazole, SCHEMBL10049, KSC270C3J, MLS006010891, 2H-Imidazole, 2-aci-nitro-, CHEMBL433637, SCHEMBL4794199, DTXSID7060178, SCHEMBL17145914, CTK1H0134, KS-00000DFE, HMS3655N18, ACT02015, ALBB-016499, BCP26458, CS-D1102, HY-N0195, ZINC1481980, AN-479, ANW-31547, BBL100949, CN-006, CN0023, s2267, STL554743, AKOS006222773, AKOS007929923, CCG-208568, ML01025, NSC-105831, RP19085, RTC-030478, TRA0014751, NCGC00346715-01, 875208-30-3, AJ-26302, AK-28550, AS-14901, BC220082, BR-28550, CJ-05084, CJ-23630, LS-78837, N060, SC-05069, SMR004701806, SY019543, DB-006205, Ro-59129-001, ST2410179, TC-030478, AM20100295, BB 0261804, FT-0601241, FT-0687305, N0891, SW220260-1, C-5321, C14531, MFCD00005185 (97+%), 122288-EP2272510A1, 122288-EP2295432A1, 527N731, SR-05000002197, Q-200313, S14-0905, SR-05000002197-2, 2-Nitrodiphenylamine, D0QY4L, Azomycin(2-Nitroimidazole), C3H3N3O2, 2H-Imidazole,2-aci-nitro-, C3H3N3O2.NH3, C3-H3-N3-O2.NH3, CID10701, Nitroimidazole compounds (infection), 2-Nitroimidazole, 98% - 1G 1g, ACN-000775, A7707, B3663, 5-23-04-00471 (Beilstein Handbook Reference), A10099, 36877-68-6,

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	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

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