| CAS Number | 1021172-76-8 |
| Catalog Number | AG0093OB |
| Chemical Name | 1-Bromo-4-(difluoromethoxy)-2-methylbenzene |
| IUPAC Name | 1-bromo-4-(difluoromethoxy)-2-methylbenzene |
| InChI | InChI=1S/C8H7BrF2O/c1-5-4-6(12-8(10)11)2-3-7(5)9/h2-4,8H,1H3 |
| InChI Key | GXUXVIMMCHNFNW-UHFFFAOYSA-N |
| MDL Number | MFCD18390995 |
| Molecular Formula | C8H7BrF2O |
| Molecular Weight | 237.0414 |
| SMILES | CC1=C(Br)C=CC(OC(F)F)=C1 |
| Synonyms | 1-bromo-4-(difluoromethoxy)-2-methylbenzene,
1021172-76-8,
2-bromo-5-difluoromethoxytoluene,
SCHEMBL5733721,
GXUXVIMMCHNFNW-UHFFFAOYSA-N,
ZINC95935113,
AKOS017552967,
Z2217052427,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.044g/mol |
| Monoisotopic Mass | 235.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number