| CAS Number | 2044745-15-3 |
| Catalog Number | AG01BVMO |
| Chemical Name | 2-bromo-1-(chloromethyl)-4-(ethylsulfanyl)benzene |
| IUPAC Name | 2-bromo-1-(chloromethyl)-4-ethylsulfanylbenzene |
| InChI | InChI=1S/C9H10BrClS/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5H,2,6H2,1H3 |
| InChI Key | CEGQEHAJOZYJRP-UHFFFAOYSA-N |
| MDL Number | MFCD30476475 |
| Molecular Formula | C9H10BrClS |
| Molecular Weight | 265.5977 |
| SMILES | CCSC1=CC(Br)=C(CCl)C=C1 |
| Synonyms | 2-bromo-1-(chloromethyl)-4-(ethylsulfanyl)benzene,
2044745-15-3,
ZINC521399921,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.593g/mol |
| Monoisotopic Mass | 263.938g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number