| CAS Number | 865886-84-6 |
| Catalog Number | AG01FHCW(AGN-PC-09RVOP) |
| Chemical Name | 2-Bromo-5-(difluoromethoxy)nitrobenzene |
| IUPAC Name | 1-bromo-4-(difluoromethoxy)-2-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO3/c8-5-2-1-4(14-7(9)10)3-6(5)11(12)13/h1-3,7H |
| InChI Key | LSNTUFKHTNZVDL-UHFFFAOYSA-N |
| MDL Number | MFCD18390950 |
| Molecular Formula | C7H4BrF2NO3 |
| Molecular Weight | 268.0124 |
| SMILES | c1cc(c(cc1OC(F)F)N(=O)=O)Br |
| Synonyms | 865886-84-6,
1-BROMO-4-(DIFLUOROMETHOXY)-2-NITROBENZENE,
2-Bromo-5-(difluoromethoxy)nitrobenzene,
1-Bromo-4-(difluoromethoxy)-2-nitro-benzene,
SCHEMBL493054,
DTXSID80696763,
MFCD18390950,
ZINC71624063,
AKOS025213185,
FCH1369563,
PC501994,
A841732,
4-[bis(fluoranyl)methoxy]-1-bromanyl-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 | 3.5 |
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Certificate of Analysis
Lot Number