| CAS Number | 1423034-81-4 |
| Catalog Number | AG01A1FR(AGN-PC-0WO6WG) |
| Chemical Name | Methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride |
| IUPAC Name | methyl 2-chloro-2-pyridin-3-ylacetate;hydrochloride |
| InChI | InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7(9)6-3-2-4-10-5-6;/h2-5,7H,1H3;1H |
| InChI Key | BCTSHRLIZNBSSP-UHFFFAOYSA-N |
| MDL Number | MFCD22421825 |
| Molecular Formula | C8H9Cl2NO2 |
| Molecular Weight | 222.0686 |
| SMILES | Cl.COC(C(C1=CN=CC=C1)Cl)=O |
| Synonyms | methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride,
1423034-81-4,
AKOS026728350,
NE26331,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.065g/mol |
| Monoisotopic Mass | 221.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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