| CAS Number | 1311316-69-4 |
| Catalog Number | AG01AH5F |
| Chemical Name | 4-(Chloromethyl)-2-methoxy-1-(methylsulfanyl)benzene |
| IUPAC Name | 4-(chloromethyl)-2-methoxy-1-methylsulfanylbenzene |
| InChI | InChI=1S/C9H11ClOS/c1-11-8-5-7(6-10)3-4-9(8)12-2/h3-5H,6H2,1-2H3 |
| InChI Key | MOJDXRPMPVKFPC-UHFFFAOYSA-N |
| MDL Number | MFCD18483206 |
| Molecular Formula | C9H11ClOS |
| Molecular Weight | 202.7010 |
| SMILES | COC1=C(SC)C=CC(CCl)=C1 |
| Synonyms | 4-(chloromethyl)-2-methoxy-1-(methylsulfanyl)benzene,
1311316-69-4,
ZINC62151960,
NE22507,
EN300-73754,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.696g/mol |
| Monoisotopic Mass | 202.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number