| CAS Number | 1375068-62-4 |
| Catalog Number | AG009WKN |
| Chemical Name | 1-Bromo-5-fluoro-2-isopropoxy-3-nitrobenzene |
| IUPAC Name | 1-bromo-5-fluoro-3-nitro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H9BrFNO3/c1-5(2)15-9-7(10)3-6(11)4-8(9)12(13)14/h3-5H,1-2H3 |
| InChI Key | RTBBAMMIBRXCEE-UHFFFAOYSA-N |
| MDL Number | MFCD22205743 |
| Molecular Formula | C9H9BrFNO3 |
| Molecular Weight | 278.0751 |
| SMILES | CC(Oc1c(Br)cc(cc1[N+](=O)[O-])F)C |
| Synonyms | 1-Bromo-5-fluoro-2-isopropoxy-3-nitrobenzene,
1375068-62-4,
ACMC-209ccq,
C9H9BrFNO3,
CTK8B0635,
DTXSID50742968,
ANW-20280,
MFCD22205743,
ZINC85477196,
AKOS025294438,
TC-109025,
V2726,
B-8796,
1-bromo-5-fluoro-3-nitro-2-(propan-2-yloxy)benzene,
1-Bromo-5-fluoro-3-nitro-2-[(propan-2-yl)oxy]benzene,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.077g/mol |
| Monoisotopic Mass | 276.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number