| CAS Number | 383670-74-4 |
| Catalog Number | AG00C7M5(AGN-PC-09T8TC) |
| Chemical Name | ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate |
| IUPAC Name | ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate |
| InChI | InChI=1S/C10H9F2NO5/c1-2-17-9(14)10(11,12)18-8-5-3-7(4-6-8)13(15)16/h3-6H,2H2,1H3 |
| InChI Key | PZDDODIICBJHOQ-UHFFFAOYSA-N |
| MDL Number | MFCD13176705 |
| Molecular Formula | C10H9F2NO5 |
| Molecular Weight | 261.1790 |
| SMILES | CCOC(C(OC1=CC=C([N+]([O-])=O)C=C1)(F)F)=O |
| Synonyms | 383670-74-4,
ethyl 2,2-difluoro-2-(4-nitrophenoxy)acetate,
DIFLUORO-(4-NITRO-PHENOXY)-ACETIC ACID ETHYL ESTER,
SCHEMBL6982125,
CTK4H9841,
DTXSID80700894,
PZDDODIICBJHOQ-UHFFFAOYSA-N,
ZINC89064973,
Ethyl difluoro(4-nitrophenoxy)acetate,
AKOS015150901,
ethyl 2,2-difluoro-2-(4-nitrophenyloxy)acetate,
Z2471262650,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.181g/mol |
| Monoisotopic Mass | 261.045g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number