| CAS Number | 951317-39-8 |
| Catalog Number | AG00IIRI(AGN-PC-0WRAE1) |
| Chemical Name | 3-Fluoro-4-isopropoxynitrobenzene |
| IUPAC Name | 2-fluoro-4-nitro-1-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10FNO3/c1-6(2)14-9-4-3-7(11(12)13)5-8(9)10/h3-6H,1-2H3 |
| InChI Key | XKIPQWFNBVPXCX-UHFFFAOYSA-N |
| MDL Number | MFCD12547858 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | C1=CC([N+]([O-])=O)=CC(F)=C1OC(C)C |
| Synonyms | 2-fluoro-1-isopropoxy-4-nitrobenzene,
951317-39-8,
3-Fluoro-4-isopropoxynitrobenzene,
SCHEMBL15210001,
ZINC40571625,
AKOS006346334,
KS-5470,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.181g/mol |
| Monoisotopic Mass | 199.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number