| CAS Number | 949259-77-2 |
| Catalog Number | AG019KW3 |
| Chemical Name | 2-[(1-Chloro-2,2,2-trifluoroethyl)sulfanyl]aniline |
| IUPAC Name | 2-(1-chloro-2,2,2-trifluoroethyl)sulfanylaniline |
| InChI | InChI=1S/C8H7ClF3NS/c9-7(8(10,11)12)14-6-4-2-1-3-5(6)13/h1-4,7H,13H2 |
| InChI Key | JJAPPZLXGFYTDB-UHFFFAOYSA-N |
| MDL Number | MFCD09802064 |
| Molecular Formula | C8H7ClF3NS |
| Molecular Weight | 241.6611 |
| SMILES | NC1=C(SC(C(F)(F)F)Cl)C=CC=C1 |
| Synonyms | 949259-77-2,
2-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]aniline,
2-[(1-chloro-2,2,2-trifluoroethyl)thio]aniline,
2-((1-Chloro-2,2,2-trifluoroethyl)thio)aniline,
AC1Q519J,
CTK6G5658,
AKOS009142842,
MCULE-2471035474,
NE37918,
EN300-28771,
Benzenamine, 2-[(1-chloro-2,2,2-trifluoroethyl)thio],
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.656g/mol |
| Monoisotopic Mass | 240.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number