AG0032V9

723286-98-4 | 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

AG0032V9

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CAS Number	723286-98-4
Catalog Number	AG0032V9(AGN-PC-0CZ0E5)
Chemical Name	2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
IUPAC Name	2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
InChI	InChI=1S/C4H2ClF3N2O/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2
InChI Key	GPXSXZGMVOSWMN-UHFFFAOYSA-N
MDL Number	MFCD09699166
Molecular Formula	C4H2ClF3N2O
Molecular Weight	186.5197
SMILES	ClCC=1OC(=NN1)C(F)(F)F
Synonyms	723286-98-4, 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole, 5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiazole, 2-CHLOROMETHYL-5-TRIFLUOROMETHYL-[1,3,4]OXADIAZOLE, 5-(TRIFLUOROMETHYL)-2-(CHLOROMETHYL)-1,3,4-OXADIAZOLE, 1,3,4-oxadiazole, 2-(chloromethyl)-5-(trifluoromethyl)-, PubChem18656, ACMC-1BJUR, SCHEMBL725711, CTK5D5930, DTXSID80439930, GPXSXZGMVOSWMN-UHFFFAOYSA-N, BCP21754, CS-M0690, EBD43955, ZINC8731344, ANW-36191, KM1474, MFCD09699166, AKOS003678499, FA-0235, MCULE-2647852992, PB32733, RP24657, RTC-070830, TRA0013720, AJ-59132, AN-13781, SC-27846, SY002324, AB0029863, AB1001332, DB-018476, FT-0083708, FT-0651553, ST24039610, X2010, MFCD09699166 (97+%), 2-chloromethyl-5-trifluoromethyl-1,3,4-oxadia-zole, 2-Chloromethyl-5-trifluoromethyl-1,3,4-oxadiazole, 5-trifluoromethyl-2-chloromethyl-1,3,4-oxadiazole, J-516314, 5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiaz, I14-17506, 2-(Chloromethyl)-5-(trifluromethyl)-1,3,4-oxadiazole, F8889-6029, null, C4H2ClF3N2O, CID10442445, A15773, N/A,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.981g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.518g/mol
Monoisotopic Mass	185.981g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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