| CAS Number | 211172-71-3 |
| Catalog Number | AG00I41B |
| Chemical Name | 1-Chloro-4-fluoro-2-methoxy-5-methylbenzene |
| IUPAC Name | 1-chloro-4-fluoro-2-methoxy-5-methylbenzene |
| InChI | InChI=1S/C8H8ClFO/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4H,1-2H3 |
| InChI Key | FIGSTRCRAPBCDV-UHFFFAOYSA-N |
| MDL Number | MFCD28505675 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | COC1=C(Cl)C=C(C)C(F)=C1 |
| Synonyms | 1-chloro-4-fluoro-2-methoxy-5-methylbenzene,
211172-71-3,
SCHEMBL8345346,
2-Chloro-5-fluoro-4-methylanisole,
ZINC149695959,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.599g/mol |
| Monoisotopic Mass | 174.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number