| CAS Number | 5310-68-9 |
| Catalog Number | AG003L86(AGN-PC-0SEE53) |
| Chemical Name | 4-Chlorophenylsulfur Pentafluoride |
| IUPAC Name | (4-chlorophenyl)-pentafluoro-λ6-sulfane |
| InChI | InChI=1S/C6H4ClF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H |
| InChI Key | AZOPETVFRMSFNY-UHFFFAOYSA-N |
| MDL Number | MFCD11501051 |
| Molecular Formula | C6H4ClF5S |
| Molecular Weight | 238.6060 |
| SMILES | C1=C(C=CC(=C1)S(F)(F)(F)(F)F)Cl |
| Synonyms | 4-Chlorophenylsulfur Pentafluoride,
5310-68-9,
p-Chlorophenylsulfur pentafluoride,
4-Chlorophenylsulphur pentafluoride,
ACMC-20amke,
SCHEMBL944658,
CTK6H0954,
DTXSID10599258,
1-Chloro-4-(pentafluorothio)benzene,
MFCD11501051,
SBB098989,
AKOS025405271,
ZINC100043584,
1-Chloro-4-(pentafluorosulphanyl)benzene,
TC-168917,
1-chloro-4-(pentafluoro-lambda-sulfanyl)benzene,
1-chloro-4-(pentafluoro-$l^{6}-sulfanyl)benzene,
1-Chloro-4-(pentafluoro-lambda~6~-sulfanyl)benzene,
1-CHLORO-4-(PENTAFLUORO-??-SULFANYL)BENZENE,
C2583,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.6g/mol |
| Monoisotopic Mass | 237.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
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Certificate of Analysis
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