| CAS Number | 1261441-47-7 |
| Catalog Number | AG01DLXA |
| Chemical Name | 1-Bromo-3-(difluoromethoxy)-5-nitrobenzene |
| IUPAC Name | 1-bromo-3-(difluoromethoxy)-5-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO3/c8-4-1-5(11(12)13)3-6(2-4)14-7(9)10/h1-3,7H |
| InChI Key | OOWPZKIOAPIRQZ-UHFFFAOYSA-N |
| MDL Number | MFCD18390953 |
| Molecular Formula | C7H4BrF2NO3 |
| Molecular Weight | 268.0124 |
| SMILES | O=[N+](C1=CC(OC(F)F)=CC(Br)=C1)[O-] |
| Synonyms | 1-BROMO-3-(DIFLUOROMETHOXY)-5-NITROBENZENE,
1261441-47-7,
Benzene,1-bromo-3-(difluoromethoxy)-5-nitro-,
SCHEMBL1494632,
OOWPZKIOAPIRQZ-UHFFFAOYSA-N,
MFCD18390953,
ZINC91691921,
FCH1369566,
3-Bromo-5-(difluoromethoxy)nitrobenzene,
AS-38329,
PC501929,
|
| 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 |
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Certificate of Analysis
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