| CAS Number | 1233955-17-3 |
| Catalog Number | AG01EH8U |
| Chemical Name | 1-Fluoro-2-(2-methylpropoxy)-3-nitrobenzene |
| IUPAC Name | 1-fluoro-2-(2-methylpropoxy)-3-nitrobenzene |
| InChI | InChI=1S/C10H12FNO3/c1-7(2)6-15-10-8(11)4-3-5-9(10)12(13)14/h3-5,7H,6H2,1-2H3 |
| InChI Key | OMJCHCJAEMSERQ-UHFFFAOYSA-N |
| MDL Number | MFCD17014083 |
| Molecular Formula | C10H12FNO3 |
| Molecular Weight | 213.2056 |
| SMILES | FC1=CC=CC(=C1OCC(C)C)[N+](=O)[O-] |
| Synonyms | 1-Fluoro-2-isobutoxy-3-nitrobenzene,
1233955-17-3,
ZINC67800680,
KS-5550,
1-fluoro-2-(2-methylpropoxy)-3-nitrobenzene,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.208g/mol |
| Monoisotopic Mass | 213.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number