| CAS Number | 259243-49-7 |
| Catalog Number | AG01FHCX(AGN-PC-0WCC31) |
| Chemical Name | 1-Bromo-2-(difluoromethoxy)-3-nitro-benzene |
| IUPAC Name | 1-bromo-2-(difluoromethoxy)-3-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO3/c8-4-2-1-3-5(11(12)13)6(4)14-7(9)10/h1-3,7H |
| InChI Key | IGAOUJCUASPQFS-UHFFFAOYSA-N |
| MDL Number | MFCD18390951 |
| Molecular Formula | C7H4BrF2NO3 |
| Molecular Weight | 268.0124 |
| SMILES | FC(Oc1c(Br)cccc1[N+](=O)[O-])F |
| Synonyms | 259243-49-7,
3-Bromo-2-(difluoromethoxy)nitrobenzene,
1-bromo-2-(difluoromethoxy)-3-nitrobenzene,
1-Bromo-2-(difluoromethoxy)-3-nitro-benzene,
SCHEMBL5699210,
IGAOUJCUASPQFS-UHFFFAOYSA-N,
3-bromo-2-difluoromethoxynitrobenzene,
MFCD18390951,
ZINC34754189,
AKOS025212694,
FCH1369564,
PC501873,
PS-10513,
|
| 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