| CAS Number | 937236-73-2 |
| Catalog Number | AG01A4B8(AGN-PC-0WOAJP) |
| Chemical Name | Ethyl 2-(2-Chloropyridin-4-Yl)Acetate |
| IUPAC Name | ethyl 2-(2-chloropyridin-4-yl)acetate |
| InChI | InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3 |
| InChI Key | MFDZGDBPQSJAIC-UHFFFAOYSA-N |
| MDL Number | MFCD24842755 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | ClC1=NC=CC(=C1)CC(=O)OCC |
| Synonyms | ethyl 2-(2-chloropyridin-4-yl)acetate,
937236-73-2,
SCHEMBL191331,
MFDZGDBPQSJAIC-UHFFFAOYSA-N,
ZINC95347523,
AKOS026729461,
NE34562,
4-Pyridineacetic acid, 2-chloro-, ethyl ester,
(2-chloro-pyridin-4-yl)-acetic acid ethyl ester,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number