| CAS Number | 1417567-20-4 |
| Catalog Number | AG01B5H2(AGN-PC-0WCC7M) |
| Chemical Name | 1-Bromo-2-(difluoromethoxy)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4BrF5O/c9-5-2-1-4(8(12,13)14)3-6(5)15-7(10)11/h1-3,7H |
| InChI Key | BSRSUBVCEBLPAX-UHFFFAOYSA-N |
| MDL Number | MFCD22581054 |
| Molecular Formula | C8H4BrF5O |
| Molecular Weight | 291.0128 |
| SMILES | c1(c(cc(cc1)C(F)(F)F)OC(F)F)Br |
| Synonyms | 1-Bromo-2-(difluoromethoxy)-4-(trifluoromethyl)benzene,
1417567-20-4,
ZINC95215744,
AKOS017344322,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.015g/mol |
| Monoisotopic Mass | 289.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number