| CAS Number | 1432679-22-5 |
| Catalog Number | AG01A51B |
| Chemical Name | (4-chloro-2-cyanophenyl)methyl acetate |
| IUPAC Name | (4-chloro-2-cyanophenyl)methyl acetate |
| InChI | InChI=1S/C10H8ClNO2/c1-7(13)14-6-8-2-3-10(11)4-9(8)5-12/h2-4H,6H2,1H3 |
| InChI Key | KARHIRHASQFDHI-UHFFFAOYSA-N |
| MDL Number | MFCD24369203 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | CC(OCC1=C(C#N)C=C(Cl)C=C1)=O |
| Synonyms | (4-chloro-2-cyanophenyl)methyl acetate,
1432679-22-5,
ZINC95218364,
FCH2328212,
NE54616,
EN300-127508,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number