| CAS Number | 1228376-15-5 |
| Catalog Number | AG00HH17 |
| Chemical Name | Ethyl 3-chloro-4-cyanobenzoate |
| IUPAC Name | ethyl 3-chloro-4-cyanobenzoate |
| InChI | InChI=1S/C10H8ClNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3 |
| InChI Key | YWKJUFOBOSEUFR-UHFFFAOYSA-N |
| MDL Number | MFCD18396038 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | CCOC(C1=CC(Cl)=C(C#N)C=C1)=O |
| Synonyms | ethyl 3-chloro-4-cyanobenzoate,
1228376-15-5,
SCHEMBL2474590,
YWKJUFOBOSEUFR-UHFFFAOYSA-N,
MFCD18396038,
ZINC95883846,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number