AG003ACB

719-98-2 | N-(Trifluoromethylthio)phthalimide

AG003ACB

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CAS Number	719-98-2
Catalog Number	AG003ACB(AGN-PC-0WANPA)
Chemical Name	N-(Trifluoromethylthio)phthalimide
IUPAC Name	2-(trifluoromethylsulfanyl)isoindole-1,3-dione
InChI	InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChI Key	CFNSRIIHFLPQCE-UHFFFAOYSA-N
MDL Number	MFCD18449627
Molecular Formula	C9H4F3NO2S
Molecular Weight	247.1938
SMILES	FC(SN1C(C=2C(C1=O)=CC=CC2)=O)(F)F
Synonyms	N-(trifluoromethylthio)phthalimide, N-(trifluoromethylthio)phthalimide, 719-98-2, 2-(trifluoromethylsulfanyl)isoindole-1,3-dione, SCHEMBL6643798, MFCD18449627, ZINC34485777, AKOS025402736, 2-((Trifluoromethyl)thio)isoindolin-1,3-dion, KS-00001160, 2-((trifluoromethyl)thio)isoindoline-1,3-dione, CID11334100, T3143, 2-(Trifluoromethylthio)isoindoline-1,3-dione, 2-(Trifluoromethylthio)isoindoline-1,3-dione, 98% - 1G 1g,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.991g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.191g/mol
Monoisotopic Mass	246.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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