AG003MWR

93-84-5 | 5-NITRO-2-BENZIMIDAZOLINONE

AG003MWR

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CAS Number	93-84-5
Catalog Number	AG003MWR(AGN-PC-0KZ74A)
Chemical Name	5-NITRO-2-BENZIMIDAZOLINONE
EC Number	202-282-2
IUPAC Name	5-nitro-1,3-dihydrobenzimidazol-2-one
InChI	InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)
InChI Key	DLJZIPVEVJOKHB-UHFFFAOYSA-N
MDL Number	MFCD00220274
Molecular Formula	C7H5N3O3
Molecular Weight	179.1329
NSC Number	10380
SMILES	c1cc2c(cc1N(=O)=O)[nH]c(=O)[nH]2
Synonyms	93-84-5, 5-Nitro-2-benzimidazolinone, 5-Nitro-1H-benzo[d]imidazol-2(3H)-one, 5-Nitrobenzimidazol-2-one, 2-Hydroxy-5-nitrobenzimidazole, 5-Nitro-2(3H)-benzimidazolone, 2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-, 5-nitro-1,3-dihydro-2H-benzimidazol-2-one, 5-nitro-1,3-dihydrobenzimidazol-2-one, NSC10380, MLS002638138, 2-Benzimidazolinone, 5-nitro-, 5-Nitro-1H-benzimidazol-2-ol, 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one, DLJZIPVEVJOKHB-UHFFFAOYSA-N, 5-nitro-3-hydrobenzimidazol-2-one, 2-Hydroxy-5-nitro-1H-benzimidazole, 5-nitro-1H-1,3-benzodiazol-2-ol, MFCD00220274, 5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one, 5 (6)-Nitrobenzimidazol-2-one, EINECS 202-282-2, NSC 10380, AC1Q1XWE, EC 202-282-2, AC1MV18O, AC1Q79BW, Oprea1_144876, Oprea1_224100, Oprea1_672306, SCHEMBL1842652, SCHEMBL2717518, 2-hydroxy 5-nitro benzimidazole, CHEMBL2022013, DTXSID9059092, SCHEMBL14609245, CTK3J4605, HMS3080D09, ZINC173832, ALBB-023245, KS-00000F7X, 5-Nitro-2-benzimidazolinone, 97%, CCG-44925, NSC-10380, STK389132, AKOS000400926, AKOS015913542, 2-Benzimidazolinone, 5-nitro- (8CI), CS-W022420, DS-5863, MCULE-4116652171, 5-Nitro-1,3-dihydro-benzimidazol-2-one, AC-12640, AJ-17597, AK128446, AN-42667, SMR001547628, ST012440, ZB009310, 2H-Benzimidazol-2-one,3-dihydro-5-nitro-, 5-nitro-2,3-dihydro-1H-benzimidazol-2-one, FT-0620688, R2637, 2H-Benzimidazol-2-one, 1, 3-dihydro-5-nitro-, 093N845, 5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one, SR-01000393654, SR-01000393654-1, SR-01000393654-2, W-109052, I14-45688, F0074-0057, C7H5N3O3, C7-H5-N3-O3, CID3725611, 5-Nitro-2-benzimidazolinone, 98% - 1G 1g, 2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro- (9CI),

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.135g/mol
Monoisotopic Mass	179.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H331
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312a-P304+P340-P311a-P405-P501a
UN Code	UN 2811

Certificate of Analysis

Lot Number