| CAS Number | 883987-75-5 |
| Catalog Number | AG01FH25(AGN-PC-0FZKXZ) |
| Chemical Name | 3-Fluoro-5-nitrobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3-fluoro-5-nitrobenzene |
| InChI | InChI=1S/C7H5BrFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2 |
| InChI Key | PKGNYGZIPJHZPG-UHFFFAOYSA-N |
| MDL Number | MFCD13185623 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | BrCC1=CC(=CC(=C1)[N+](=O)[O-])F |
| Synonyms | 3-fluoro-5-nitrobenzyl bromide,
883987-75-5,
1-(bromomethyl)-3-fluoro-5-nitrobenzene,
SCHEMBL1098949,
PKGNYGZIPJHZPG-UHFFFAOYSA-N,
MFCD13185623,
ZINC82864468,
AKOS014098893,
PS-9858,
Benzene, 1-(bromomethyl)-3-fluoro-5-nitro-,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number