4'- (Pentafluorosulfur) acetophenone

CAT: 0127-PC302967-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC302967-01Size:1 g

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CAS Number

401892-83-9

MDL Number

MFCD16652408

Purity

98%

Smiles

CC(=O)c1ccc(cc1)S(F)(F)(F)(F)F

Chemical Information

1-[4-(Pentafluoro-lambda6-sulfanyl)phenyl]ethan-1-one

CAS Number	401892-83-9
PubChem CID	59715536
IUPAC Name	1-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanone
Molecular Formula	C8H7F5OS
Molecular Weight	246.20
XLogP	5
Topological Polar Surface Area	18.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	273

SMILES

CC(=O)C1=CC=C(C=C1)S(F)(F)(F)(F)F

InChI

InChI=1S/C8H7F5OS/c1-6(14)7-2-4-8(5-3-7)15(9,10,11,12)13/h2-5H,1H3

InChIKey

BKEQOPIQGDSWEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 401892-83-9

CID: 59715536

Formula: C8H7F5OS

MW: 246.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.20
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	246.01377683
Monoisotopic Mass	246.01377683
Topological Polar Surface Area	18.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC302833-01	3'-Chloro-5'- (pentafluorosulfur) acetophenone
PC302844-01	3'-Fluoro-5'- (pentafluorosulfur) acetophenone
PC302317-01	4- (Pentafluorosulfur) phenylacetonitrile
PC302854-01	4- (Pentafluorosulfur) benzamide
PC302563-01	4- (Pentafluorosulfur) phenylacetic acid
PC405657-01	4- (Pentafluorosulfur) benzenesulfonyl chloride
PC302562-01	4- (Pentafluorosulfur) -DL-phenylalanine
PC405654-01	4- (Pentafluorosulfur) benzyl alcohol
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC8042-01	4'- (Trifluoromethylthio) acetophenone

Catalog	Name
BRA89283-01	4'- (Pentafluorosulfur) acetophenone
C6969-500	Acetophenone