| CAS Number | 1379332-76-9 |
| Catalog Number | AG01FHEU(AGN-PC-3H4AOC) |
| Chemical Name | 4-Bromo-2-fluoro-5-nitrobenzyl alcohol |
| IUPAC Name | (4-bromo-2-fluoro-5-nitrophenyl)methanol |
| InChI | InChI=1S/C7H5BrFNO3/c8-5-2-6(9)4(3-11)1-7(5)10(12)13/h1-2,11H,3H2 |
| InChI Key | SWMDXXYDJXJIHX-UHFFFAOYSA-N |
| MDL Number | MFCD17168699 |
| Molecular Formula | C7H5BrFNO3 |
| Molecular Weight | 250.0219 |
| SMILES | OCc1cc([N+](=O)[O-])c(cc1F)Br |
| Synonyms | 4-Bromo-2-fluoro-5-nitrobenzyl alcohol,
1379332-76-9,
MFCD17168699,
ZINC238722932,
PS-10546,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.023g/mol |
| Monoisotopic Mass | 248.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number