| CAS Number | 1261552-41-3 |
| Catalog Number | AG01FHCY(AGN-PC-0WCC6D) |
| Chemical Name | 4-Bromo-1-(difluoromethoxy)-2-nitrobenzene |
| IUPAC Name | 4-bromo-1-(difluoromethoxy)-2-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO3/c8-4-1-2-6(14-7(9)10)5(3-4)11(12)13/h1-3,7H |
| InChI Key | OGNULTMJFVFEMD-UHFFFAOYSA-N |
| MDL Number | MFCD18390955 |
| Molecular Formula | C7H4BrF2NO3 |
| Molecular Weight | 268.0124 |
| SMILES | BrC1=CC(=C(C=C1)OC(F)F)[N+](=O)[O-] |
| Synonyms | 1261552-41-3,
5-Bromo-2-(difluoromethoxy)nitrobenzene,
4-Bromo-1-(difluoromethoxy)-2-nitrobenzene,
4-Bromo-1-(difluoromethoxy)-2-nitro-benzene,
SCHEMBL15857842,
MFCD18390955,
ZINC85397036,
AKOS025213684,
FCH1369568,
PC501880,
4-Bromo-1-difluoromethoxy-2-nitro-benzene,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.014g/mol |
| Monoisotopic Mass | 266.934g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number