| CAS Number | 1447671-74-0 |
| Catalog Number | AG01FB2C(AGN-PC-3H49HC) |
| Chemical Name | 1-(2-Bromo-1,1-difluoroethyl)-4-nitrobenzene |
| IUPAC Name | 1-(2-bromo-1,1-difluoroethyl)-4-nitrobenzene |
| InChI | InChI=1S/C8H6BrF2NO2/c9-5-8(10,11)6-1-3-7(4-2-6)12(13)14/h1-4H,5H2 |
| InChI Key | QKRCUCJYDUOQCD-UHFFFAOYSA-N |
| MDL Number | MFCD25371536 |
| Molecular Formula | C8H6BrF2NO2 |
| Molecular Weight | 266.0395 |
| SMILES | BrCC(c1ccc(cc1)[N+](=O)[O-])(F)F |
| Synonyms | 1447671-74-0,
4-Nitro-(2-bromo-1,1-difluoroethyl)-benzene,
1-(2-bromo-1,1-difluoroethyl)-4-nitrobenzene,
ZINC95147699,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.042g/mol |
| Monoisotopic Mass | 264.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number