| CAS Number | 835633-47-1 |
| Catalog Number | AG00GACM(AGN-PC-09RX1C) |
| Chemical Name | 1-Bromo-2-(difluoromethoxy)-4-nitrobenzene |
| IUPAC Name | 1-bromo-2-(difluoromethoxy)-4-nitrobenzene |
| InChI | InChI=1S/C7H4BrF2NO3/c8-5-2-1-4(11(12)13)3-6(5)14-7(9)10/h1-3,7H |
| InChI Key | JFFPRVLUZCLWSF-UHFFFAOYSA-N |
| MDL Number | MFCD15526849 |
| Molecular Formula | C7H4BrF2NO3 |
| Molecular Weight | 268.0124 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])OC(F)F)Br |
| Synonyms | 835633-47-1,
1-BROMO-2-(DIFLUOROMETHOXY)-4-NITROBENZENE,
1-bromo-2-difluoromethoxy-4-nitrobenzene,
SCHEMBL4362884,
JFFPRVLUZCLWSF-UHFFFAOYSA-N,
MFCD15526849,
ZINC95630901,
AKOS027339277,
FCH1390993,
4-Bromo-3-(difluoromethoxy)nitrobenzene,
BBV-40267100,
PC501766,
SC-34809,
1-bromo-2-difluoromethoxy-4-nitro-benzene,
1-bromo-2-(difluoromethoxy)-4-nitrobenzene, 95% - 1G 1g,
|
| 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