| CAS Number | 858972-16-4 |
| Catalog Number | AG00IDT3(AGN-PC-0WCYBN) |
| Chemical Name | Ethyl 2-(4-fluoro-3-nitrophenyl)acetate |
| IUPAC Name | ethyl 2-(4-fluoro-3-nitrophenyl)acetate |
| InChI | InChI=1S/C10H10FNO4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6H2,1H3 |
| InChI Key | ASOMZDWTSDPDEU-UHFFFAOYSA-N |
| MDL Number | MFCD16620945 |
| Molecular Formula | C10H10FNO4 |
| Molecular Weight | 227.1891 |
| SMILES | O=C(OCC)CC1=CC=C(F)C([N+]([O-])=O)=C1 |
| Synonyms | Ethyl 2-(4-fluoro-3-nitrophenyl)acetate,
858972-16-4,
SCHEMBL15270721,
ASOMZDWTSDPDEU-UHFFFAOYSA-N,
MFCD16620945,
ZINC98213415,
AKOS027255110,
AS-44827,
AX8270319,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.191g/mol |
| Monoisotopic Mass | 227.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number