| CAS Number | 189181-33-7 |
| Catalog Number | AG00AQHR(AGN-PC-05FRKD) |
| Chemical Name | 1-(4-Bromophenoxy)-2-fluoro-4-nitrobenzene |
| IUPAC Name | 1-(4-bromophenoxy)-2-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C12H7BrFNO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H |
| InChI Key | RSDCKRHQJJDMOB-UHFFFAOYSA-N |
| MDL Number | MFCD11193184 |
| Molecular Formula | C12H7BrFNO3 |
| Molecular Weight | 312.0913 |
| SMILES | Brc1ccc(cc1)Oc1ccc(cc1F)[N+](=O)[O-] |
| Synonyms | 1-(4-Bromophenoxy)-2-fluoro-4-nitrobenzene,
189181-33-7,
ZINC20474712,
V4023,
C12H7BrFNO3,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.094g/mol |
| Monoisotopic Mass | 310.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number