| CAS Number | 159727-25-0 |
| Catalog Number | AG00AMMI(AGN-PC-0Q7Q8Q) |
| Chemical Name | 2-Bromo-4-(pentafluoro-6-sulfanyl)aniline |
| IUPAC Name | 2-bromo-4-(pentafluoro-λ6-sulfanyl)aniline |
| InChI | InChI=1S/C6H5BrF5NS/c7-5-3-4(1-2-6(5)13)14(8,9,10,11)12/h1-3H,13H2 |
| InChI Key | BYEXDMPBPSYTNU-UHFFFAOYSA-N |
| MDL Number | MFCD20731078 |
| Molecular Formula | C6H5BrF5NS |
| Molecular Weight | 298.0716 |
| SMILES | FS(F)(F)(F)(C1=CC=C(N)C(Br)=C1)F |
| Synonyms | 159727-25-0,
2-bromo-4-(pentafluorosulfanyl)aniline,
2-Bromo-4-(pentafluorothio)aniline,
(4-Amino-3-bromophenyl)pentafluorosulfur,
4-Amino-3-bromophenylsulphur pentafluoride,
SCHEMBL1633801,
DTXSID60514512,
BYEXDMPBPSYTNU-UHFFFAOYSA-N,
MFCD20731078,
AKOS025213021,
ZINC100014439,
NE49892,
4-Amino-3-bromophenylsulfur pentafluoride,
4-amino-3-bromophenyl sulfur pentafluoride,
3-Bromo-4-aminophenylpentafluorosulfur(VI),
2-bromo-4-(pentafluoro-??-sulfanyl)aniline,
2-bromo-4-(pentafluoro-lambda-sulfanyl)aniline,
2-bromo-4-(pentafluoro-lambda6-sulfanyl)aniline,
2-Bromo-4-(pentafluoro-lambda~6~-sulfanyl)aniline,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.069g/mol |
| Monoisotopic Mass | 296.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number