| CAS Number | 1314987-41-1 |
| Catalog Number | AG000WD2(AGN-PC-0WNM18) |
| Chemical Name | 4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene |
| IUPAC Name | 4-fluoro-1-nitro-2-pentan-2-yloxybenzene |
| InChI | InChI=1S/C11H14FNO3/c1-3-4-8(2)16-11-7-9(12)5-6-10(11)13(14)15/h5-8H,3-4H2,1-2H3 |
| InChI Key | DMGXWZCNPSMBQT-UHFFFAOYSA-N |
| MDL Number | MFCD19684095 |
| Molecular Formula | C11H14FNO3 |
| Molecular Weight | 227.2322 |
| SMILES | [O-][N+](=O)c1ccc(cc1OC(CCC)C)F |
| Synonyms | 4-Fluoro-1-nitro-2-(pentan-2-yloxy)benzene,
1314987-41-1,
ACMC-209bmj,
CTK8B0116,
DTXSID60716519,
ANW-19337,
MFCD19684095,
AKOS015888673,
AX8228969,
TC-108082,
ST24023534,
Z9603,
B-7101,
4-Fluoro-1-nitro-2-[(pentan-2-yl)oxy]benzene,
Benzene, 4-fluoro-2-(1-methylbutoxy)-1-nitro-,
I01-11700,
C11H14FNO3,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.235g/mol |
| Monoisotopic Mass | 227.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number