| CAS Number | 5323-03-5 |
| Catalog Number | AG00DQCI(AGN-PC-0LK8RY) |
| Chemical Name | 1-[(2-chloroethyl)sulfanyl]-4-fluorobenzene |
| IUPAC Name | 1-(2-chloroethylsulfanyl)-4-fluorobenzene |
| InChI | InChI=1S/C8H8ClFS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2 |
| InChI Key | FVPJPTJNQRLTJO-UHFFFAOYSA-N |
| MDL Number | MFCD06655324 |
| Molecular Formula | C8H8ClFS |
| Molecular Weight | 190.6655 |
| SMILES | FC1=CC=C(SCCCl)C=C1 |
| Synonyms | 1-[(2-chloroethyl)thio]-4-fluorobenzene,
5323-03-5,
1-[(2-chloroethyl)sulfanyl]-4-fluorobenzene,
(2-chloroethyl)(4-fluorophenyl)sulfane,
AC1NLPVZ,
AC1Q4MQB,
SCHEMBL4186269,
CTK4J7271,
DTXSID90406976,
ZINC4205391,
AKOS008039311,
NE37186,
1-(2-chloroethylsulfanyl)-4-fluorobenzene,
EN300-12524,
ZINC04205391,
CID4961952,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.66g/mol |
| Monoisotopic Mass | 190.002g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number