| CAS Number | 1246998-10-6 |
| Catalog Number | AG000MMI(AGN-PC-0WAOYB) |
| Chemical Name | 2-(Pentafluorosulfur)aniline |
| IUPAC Name | 2-(pentafluoro-λ6-sulfanyl)aniline |
| InChI | InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-4-2-1-3-5(6)12/h1-4H,12H2 |
| InChI Key | PBQAAOKNAPOLGK-UHFFFAOYSA-N |
| MDL Number | MFCD21362226 |
| Molecular Formula | C6H6F5NS |
| Molecular Weight | 219.1756 |
| SMILES | C1(N)C=CC=CC=1S(F)(F)(F)(F)F |
| Synonyms | 2-(Pentafluorosulfur)aniline,
1246998-10-6,
2-(Pentafluorothio)aniline,
2-(Pentafluorosulphanyl)aniline,
SCHEMBL2792289,
2-Aminophenylsulfur pentafluoride,
DTXSID40678641,
2-Aminophenylsulphur pentafluoride,
2-Aminophenylpentafluorosulfur(VI),
ZX-AP010553,
MFCD21362226,
AKOS025213186,
ZINC100043352,
FCH1601267,
PC51097,
2-(pentafluoro-$l^{6}-sulfanyl)aniline,
PS-11476,
2-(Pentafluoro-lambda~6~-sulfanyl)aniline,
2-(PENTAFLUORO-??-SULFANYL)ANILINE,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.173g/mol |
| Monoisotopic Mass | 219.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number