AG0063FM

672-31-1 | 3-(Pentafluorosulfanyl)Phenol

AG0063FM

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CAS Number	672-31-1
Catalog Number	AG0063FM(AGN-PC-0TNKWF)
Chemical Name	3-(Pentafluorosulfanyl)Phenol
IUPAC Name	3-(pentafluoro-λ6-sulfanyl)phenol
InChI	InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4,12H
InChI Key	KVOACEHJTNSNBD-UHFFFAOYSA-N
MDL Number	MFCD03788515
Molecular Formula	C6H5F5OS
Molecular Weight	220.1603
SMILES	FS(C=1C=C(C=CC1)O)(F)(F)(F)F
Synonyms	3-(Pentafluorothio)phenol, 672-31-1, 3-(PENTAFLUOROSULFANYL)PHENOL, MFCD03788515, 3-(pentafluoro-$l^{6}-sulfanyl)phenol, 3-(pentafluoro-lambda~6~-sulfanyl)phenol, 3-Pentafluorosulfanylphenol, 3-(Pentafluorosulfur)phenol, AC1MCV02, SCHEMBL1291131, CTK2F2714, DTXSID10381317, KVOACEHJTNSNBD-UHFFFAOYSA-N, 3-Hydroxyphenylsulfur pentafluoride, 3-Hydroxyphenylsulphur pentafluoride, 3-Hydroxyphenylpentafluorosulfur(VI), BBL103919, KM1073, SBB095921, STL557729, ZINC95676541, 3-(pentafluoro-lambda-sulfanyl)phenol, AKOS005254390, PS-11512, FT-0081060, FT-0651023, V7218, KS-00001127, 3-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenol, A835674, 3-(pentafluoro-, C6H5F5OS, CID2779201, CID 2779201,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.998g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.157g/mol
Monoisotopic Mass	219.998g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	21.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number