AG004LD5

877681-12-4 | 5-(Trifluoromethoxy)benzoimidazol-2(3H)-one

AG004LD5

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CAS Number	877681-12-4
Catalog Number	AG004LD5(AGN-PC-00BJJK)
Chemical Name	5-(Trifluoromethoxy)benzoimidazol-2(3H)-one
IUPAC Name	5-(trifluoromethoxy)-1,3-dihydrobenzimidazol-2-one
InChI	InChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H2,12,13,14)
InChI Key	MTWMCTUKHLUSMN-UHFFFAOYSA-N
MDL Number	MFCD05663530
Molecular Formula	C8H5F3N2O2
Molecular Weight	218.1327
SMILES	O=C1NC2=CC(OC(F)(F)F)=CC=C2N1
UNII	693GN7F74I
Synonyms	877681-12-4, 5-(TRIFLUOROMETHOXY)BENZOIMIDAZOL-2(3H)-ONE, 5-(Trifluoromethoxy)-1H-benzo[d]imidazol-2(3H)-one, UNII-693GN7F74I, 5-(Trifluoromethoxy)benzimidazol-2(3H)-one, 693GN7F74I, 2H-Benzimidazol-2-one, 1,3-dihydro-5-(trifluoromethoxy)-, 5-TRIFLUOROMETHOXY-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE, ACMC-209qpy, 5-(trifluoromethoxy)-1,3-dihydrobenzimidazol-2-one, C8H5F3N2O2, SCHEMBL3036012, 1,3-Dihydro-5-(trifluoromethoxy)-2H-benzimidazol-2-one, CTK5F8985, DTXSID00468540, MTWMCTUKHLUSMN-UHFFFAOYSA-N, ZINC2547620, ANW-38900, MFCD05663530, AKOS015853156, AB21867, AJ-39407, CJ-09288, SY039608, AX8251623, V8553, 2-Hydroxy-5-trifluoromethoxy-1H-benzimidazole, MFCD05663530 (95%), B-4797, I01-11602, 5-(Trifluoromethoxy)-1,3-dihydro-2H-benzimidazol-2-one, 5-[(Trifluoromethyl)oxy]-1,3-dihydro-2H-benzimidazol-2-one, ACN-043904, CID11557584, 5-(trifluoromethoxy)-1,3-dihydrobenzoimidazol-2-one,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.135g/mol
Monoisotopic Mass	218.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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