| CAS Number | 62567-91-3 |
| Catalog Number | AG00IB1K(AGN-PC-0T50PN) |
| Chemical Name | ethyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate |
| IUPAC Name | ethyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate |
| InChI | InChI=1S/C11H9ClN2O4/c1-2-18-11(15)9(6-13)8-5-7(12)3-4-10(8)14(16)17/h3-5,9H,2H2,1H3 |
| InChI Key | GUPYESOIBWIFFL-UHFFFAOYSA-N |
| MDL Number | MFCD20132094 |
| Molecular Formula | C11H9ClN2O4 |
| Molecular Weight | 268.6532 |
| SMILES | CCOC(=O)C(C#N)C1=CC(Cl)=CC=C1[N+]([O-])=O |
| Synonyms | ethyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate,
62567-91-3,
MFCD20132094,
AS-39897,
2-(2-Nitro-5-chlorophenyl)-2-cyanoacetic acid ethyl ester,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.653g/mol |
| Monoisotopic Mass | 268.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number