| CAS Number | 1242249-28-0 |
| Catalog Number | AG01CA5Z(AGN-PC-0WCC3P) |
| Chemical Name | 1-bromo-3-(difluoromethoxy)-2-fluorobenzene |
| IUPAC Name | 1-bromo-3-(difluoromethoxy)-2-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3O/c8-4-2-1-3-5(6(4)9)12-7(10)11/h1-3,7H |
| InChI Key | NHFNQTPCXZRLFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18390898 |
| Molecular Formula | C7H4BrF3O |
| Molecular Weight | 241.0053 |
| SMILES | FC(OC1=C(F)C(Br)=CC=C1)F |
| Synonyms | 1242249-28-0,
1-bromo-3-(difluoromethoxy)-2-fluorobenzene,
1-Bromo-3-(difluoromethoxy)-2-fluoro-benzene,
SCHEMBL2031163,
MFCD18390898,
ZINC95215603,
AKOS016016306,
2-Bromo-6-(difluoromethoxy)fluorobenzene,
AS-48135,
|
| 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