AG00G2UH

832-32-6 | 4-(Pentafluorosulfanyl)benzoic acid

AG00G2UH

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CAS Number	832-32-6
Catalog Number	AG00G2UH(AGN-PC-0UO7AW)
Chemical Name	4-(Pentafluorosulfanyl)benzoic acid
IUPAC Name	4-(pentafluoro-λ6-sulfanyl)benzoic acid
InChI	InChI=1S/C7H5F5O2S/c8-15(9,10,11,12)6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14)
InChI Key	KNXWKVQRYPQFOT-UHFFFAOYSA-N
MDL Number	MFCD03788718
Molecular Formula	C7H5F5O2S
Molecular Weight	248.1704
SMILES	O=C(O)C1=CC=C(S(F)(F)(F)(F)F)C=C1
Synonyms	832-32-6, 4-(Pentafluorothio)benzoic acid, 4-(Pentafluorosulfanyl)benzoic acid, 4-(Pentafluorosulphanyl)benzoic acid, MFCD03788718, AC1MCV0T, 4-Sulfurpentafluorobenzoic acid, SCHEMBL1194001, 4-pentafluorosulfanylbenzoic acid, CTK7I8147, 4-pentafluorosulphanylbenzoic acid, DTXSID20381323, 4-(Pentafluorosulfur)benzoic acid, KNXWKVQRYPQFOT-UHFFFAOYSA-N, 4-pentafluorosulphanyl-benzoic acid, 4-Carboxyphenylsulphur pentafluoride, 4-pentafluorosulphanyl- benzoic acid, 0266AF, 4-[Pentafluorothio(VI)]benzoic acid, BBL103494, KM2160, SBB100374, STL557304, ZINC95676531, 4-(pentafluoro-sulfanyl)-benzoic acid, AKOS005255131, 4-(pentafluoro-6-sulfanyl)benzoic acid, PS-11293, 4-(pentafluoro-lambda-sulfanyl)benzoic acid, 4-(pentafluoro-$l^{6}-sulfanyl)benzoic acid, 4-(pentafluoro-lambda~6~-sulfanyl)benzoic acid, 4-(PENTAFLUORO-??-SULFANYL)BENZOIC ACID, 4-(pentafluoro-, C7H5F5O2S, CID2779210, CID 2779210,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.993g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.167g/mol
Monoisotopic Mass	247.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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