| CAS Number | 1342768-08-4 |
| Catalog Number | AG01ALHQ |
| Chemical Name | 2-(Bromomethyl)-1-(difluoromethoxy)-4-methylbenzene |
| IUPAC Name | 2-(bromomethyl)-1-(difluoromethoxy)-4-methylbenzene |
| InChI | InChI=1S/C9H9BrF2O/c1-6-2-3-8(13-9(11)12)7(4-6)5-10/h2-4,9H,5H2,1H3 |
| InChI Key | DFUQHHVGPOKVLS-UHFFFAOYSA-N |
| MDL Number | MFCD18331519 |
| Molecular Formula | C9H9BrF2O |
| Molecular Weight | 251.0680 |
| SMILES | CC1=CC(CBr)=C(OC(F)F)C=C1 |
| Synonyms | 2-(bromomethyl)-1-(difluoromethoxy)-4-methylbenzene,
1342768-08-4,
SCHEMBL18149258,
MFCD18331519,
ZINC70956271,
AKOS012630076,
AS-43756,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.071g/mol |
| Monoisotopic Mass | 249.98g/mol |
| Rotatable Bond Count | 3 |
| 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