| CAS Number | 790263-67-1 |
| Catalog Number | AG019JER |
| Chemical Name | 5-Chloro-2-[(4-fluorophenyl)sulfanyl]aniline |
| IUPAC Name | 5-chloro-2-(4-fluorophenyl)sulfanylaniline |
| InChI | InChI=1S/C12H9ClFNS/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H,15H2 |
| InChI Key | CRZYJKQLOBCQQV-UHFFFAOYSA-N |
| MDL Number | MFCD06357413 |
| Molecular Formula | C12H9ClFNS |
| Molecular Weight | 253.7230 |
| SMILES | NC1=C(SC2=CC=C(F)C=C2)C=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-[(4-fluorophenyl)sulfanyl]aniline,
5-chloro-2-[(4-fluorophenyl)thio]aniline,
790263-67-1,
AC1MV45R,
AC1Q51A3,
CTK7C1146,
ZINC3887718,
AKOS000122393,
MCULE-8150352028,
NE13191,
5-chloro-2-(4-fluorophenyl)sulfanylaniline,
EN300-09269,
Z56346922,
ZINC03887718,
CID3726937,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.719g/mol |
| Monoisotopic Mass | 253.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number