| CAS Number | 110683-72-2 |
| Catalog Number | AG008TOV(AGN-PC-00029O) |
| Chemical Name | Ethyl 7-nitrobenzofuran-2-carboxylate |
| IUPAC Name | ethyl 7-nitro-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C11H9NO5/c1-2-16-11(13)9-6-7-4-3-5-8(12(14)15)10(7)17-9/h3-6H,2H2,1H3 |
| InChI Key | DNLGXQWVQMTGSG-UHFFFAOYSA-N |
| MDL Number | MFCD16294346 |
| Molecular Formula | C11H9NO5 |
| Molecular Weight | 235.1929 |
| SMILES | CCOC(=O)C1=CC2=CC=CC(=C2O1)[N+]([O-])=O |
| Synonyms | 110683-72-2,
ethyl 7-nitrobenzofuran-2-carboxylate,
2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester,
Ethyl 7-nitro-1-benzofuran-2-carboxylate,
ACMC-20mdly,
SCHEMBL6635123,
CTK0D4580,
KS-00001DQG,
DTXSID50553935,
CS-M3475,
AKOS030530299,
CS-15048,
2-Benzofurancarboxylicacid,7-nitro-,ethylester,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.195g/mol |
| Monoisotopic Mass | 235.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number