| CAS Number | 91090-86-7 |
| Catalog Number | AG006EWR(AGN-PC-0VRNTA) |
| Chemical Name | Ethyl 2-cyano-2-(4-nitrophenyl)acetate |
| IUPAC Name | ethyl 2-cyano-2-(4-nitrophenyl)acetate |
| InChI | InChI=1S/C11H10N2O4/c1-2-17-11(14)10(7-12)8-3-5-9(6-4-8)13(15)16/h3-6,10H,2H2,1H3 |
| InChI Key | KVRRHMXPWJVDRK-UHFFFAOYSA-N |
| MDL Number | MFCD03412571 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N |
| Synonyms | ETHYL 2-CYANO-2-(4-NITROPHENYL)ACETATE,
91090-86-7,
ethyl2-cyano-2-(4-nitrophenyl)acetate,
SCHEMBL2815023,
CTK5G8929,
DTXSID70576348,
Ethyl cyano(4-nitrophenyl)acetate,
KVRRHMXPWJVDRK-UHFFFAOYSA-N,
KM2974,
MFCD03412571,
AKOS027382659,
Cyano-(4-nitro-phenyl)-acetic acid ethyl ester,
4-Nitro-alpha-cyanobenzeneacetic acid ethyl ester,
Benzeneacetic acid,a-cyano-4-nitro-,ethyl ester,
ethyl2-cyano-2- acetate,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.211g/mol |
| Monoisotopic Mass | 234.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number