| CAS Number | 1261475-23-3 |
| Catalog Number | AG01B8F3(AGN-PC-0WCC2J) |
| Chemical Name | 2-Bromo-4-(difluoromethoxy)-1-fluorobenzene |
| IUPAC Name | 2-bromo-4-(difluoromethoxy)-1-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3O/c8-5-3-4(12-7(10)11)1-2-6(5)9/h1-3,7H |
| InChI Key | CIBTWXKNTCYDMS-UHFFFAOYSA-N |
| MDL Number | MFCD18390896 |
| Molecular Formula | C7H4BrF3O |
| Molecular Weight | 241.0053 |
| SMILES | C1=CC(=C(C=C1OC(F)F)Br)F |
| Synonyms | 2-bromo-4-(difluoromethoxy)-1-fluorobenzene,
1261475-23-3,
2-Bromo-4-(difluoromethoxy)-1-fluoro-benzene,
SCHEMBL15016881,
CIBTWXKNTCYDMS-UHFFFAOYSA-N,
MFCD18390896,
ZINC88190184,
AKOS016016188,
2-Bromo-4-(difluoromethoxy)fluorobenzene,
AS-48079,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.007g/mol |
| Monoisotopic Mass | 239.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number