| CAS Number | 1225665-64-4 |
| Catalog Number | AG01BFB3 |
| Chemical Name | 1-Chloro-2-(difluoromethoxy)-4-methylbenzene |
| IUPAC Name | 1-chloro-2-(difluoromethoxy)-4-methylbenzene |
| InChI | InChI=1S/C8H7ClF2O/c1-5-2-3-6(9)7(4-5)12-8(10)11/h2-4,8H,1H3 |
| InChI Key | MSQWWFRWHKYEAU-UHFFFAOYSA-N |
| MDL Number | MFCD16303578 |
| Molecular Formula | C8H7ClF2O |
| Molecular Weight | 192.5904 |
| SMILES | CC1=CC(OC(F)F)=C(Cl)C=C1 |
| Synonyms | 1-chloro-2-(difluoromethoxy)-4-methylbenzene,
1225665-64-4,
SCHEMBL900483,
4-Chloro-3-(difluoromethoxy)toluene,
ZINC41206111,
AKOS022301798,
NE37101,
Z55672019,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.59g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number