| CAS Number | 1807120-19-9 |
| Catalog Number | AG01FGZC(AGN-PC-3H4ALA) |
| Chemical Name | 2-Bromo-5-fluoro-3-nitrobenzyl bromide |
| IUPAC Name | 2-bromo-1-(bromomethyl)-5-fluoro-3-nitrobenzene |
| InChI | InChI=1S/C7H4Br2FNO2/c8-3-4-1-5(10)2-6(7(4)9)11(12)13/h1-2H,3H2 |
| InChI Key | PTKTUCLNNJGCEG-UHFFFAOYSA-N |
| MDL Number | MFCD28348592 |
| Molecular Formula | C7H4Br2FNO2 |
| Molecular Weight | 312.9186 |
| SMILES | BrCc1cc(F)cc(c1Br)[N+](=O)[O-] |
| Synonyms | 2-Bromo-5-fluoro-3-nitrobenzyl bromide,
1807120-19-9,
2-Bromo-1-(bromomethyl)-5-fluoro-3-nitrobenzene,
MFCD28348592,
ZINC169801390,
FCH3790210,
PS-9856,
PC501328,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.857g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.92g/mol |
| Monoisotopic Mass | 310.859g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number