AG00DCKE

51748-27-7 | 3-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE

AG00DCKE

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CAS Number	51748-27-7
Catalog Number	AG00DCKE(AGN-PC-0KKYIG)
Chemical Name	3-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE
IUPAC Name	3-(trifluoromethylsulfanyl)benzaldehyde
InChI	InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
InChI Key	MMDFTYGZZLJQER-UHFFFAOYSA-N
MDL Number	MFCD00236335
Molecular Formula	C8H5F3OS
Molecular Weight	206.1849
SMILES	O=CC1=CC=CC(SC(F)(F)F)=C1
Synonyms	51748-27-7, 3-((Trifluoromethyl)thio)benzaldehyde, 3-(TRIFLUOROMETHYLTHIO)BENZALDEHYDE, 3-(trifluoromethylsulfanyl)benzaldehyde, 3-[(trifluoromethyl)sulfanyl]benzaldehyde, AK116112, Benzaldehyde, 3-[(trifluoromethyl)thio]-, AC1MCS0Q, SCHEMBL1074727, CTK4J4761, DTXSID30380680, MMDFTYGZZLJQER-UHFFFAOYSA-N, ZINC2560225, 7232AB, BBL100538, MFCD00236335, PC5389, STL554332, 3-Trifluoromethylsulfanyl-benzaldehyde, AKOS005254417, AS05615, CM12020, CS-W005923, DS-4543, FCH1322765, VZ26173, ACM51748277, AJ-40522, CC-12815, AX8081101, DB-008254, FT-0613962, ST24041347, X-4273, C-10255, C8H5F3OS, CID2777843,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.001g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.182g/mol
Monoisotopic Mass	206.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number