| CAS Number | 1393441-89-8 |
| Catalog Number | AG009WVM(AGN-PC-0WNWPO) |
| Chemical Name | 2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene |
| IUPAC Name | 1-bromo-5-fluoro-3-nitro-2-phenylmethoxybenzene |
| InChI | InChI=1S/C13H9BrFNO3/c14-11-6-10(15)7-12(16(17)18)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | ZNYZLFQUEBXUOR-UHFFFAOYSA-N |
| MDL Number | MFCD22383657 |
| Molecular Formula | C13H9BrFNO3 |
| Molecular Weight | 326.1179 |
| SMILES | Fc1cc(Br)c(c(c1)[N+](=O)[O-])OCc1ccccc1 |
| Synonyms | 2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene,
1393441-89-8,
C13H9BrFNO3,
ZINC95494774,
V2919,
B-8799,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.121g/mol |
| Monoisotopic Mass | 324.975g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number