| CAS Number | 124797-01-9 |
| Catalog Number | AG000MR1(AGN-PC-0WCZXL) |
| Chemical Name | Ethyl 2-(Chloromethyl)Nicotinate |
| IUPAC Name | ethyl 2-(chloromethyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2,6H2,1H3 |
| InChI Key | PXJWOQNJCGKGAT-UHFFFAOYSA-N |
| MDL Number | MFCD10697612 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CCOC(C1=C(CCl)N=CC=C1)=O |
| Synonyms | ETHYL 2-(CHLOROMETHYL)NICOTINATE,
124797-01-9,
ETHYL 2-(CHLOROMETHYL)PYRIDINE-3-CARBOXYLATE,
ethyl 2-chloromethylnicotinate,
SCHEMBL4034951,
CTK8G7253,
DTXSID80524476,
PXJWOQNJCGKGAT-UHFFFAOYSA-N,
MFCD10697612,
ZINC39414105,
AKOS006304850,
AB60060,
AK-54548,
AS-32932,
AJ-100235,
ST2406880,
4CH-003746,
3-Pyridinecarboxylic acid, 2-(chloromethyl)-, ethyl ester,
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| 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number