| CAS Number | 31163-12-9 |
| Catalog Number | AG007IGT(AGN-PC-07NF2R) |
| Chemical Name | Ethyl 6-chloro-2-methylnicotinate |
| IUPAC Name | ethyl 6-chloro-2-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-5-8(10)11-6(7)2/h4-5H,3H2,1-2H3 |
| InChI Key | CRQYVOKBIGDOGA-UHFFFAOYSA-N |
| MDL Number | MFCD11616141 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | c1c(nc(c(c1)C(=O)OCC)C)Cl |
| Synonyms | Ethyl 6-chloro-2-methylnicotinate,
31163-12-9,
ethyl 6-chloro-2-methylpyridine-3-carboxylate,
SCHEMBL609984,
CTK4G6480,
DTXSID90673126,
CRQYVOKBIGDOGA-UHFFFAOYSA-N,
KS-000019QN,
3317AB,
ANW-54754,
MFCD11616141,
ZINC71864388,
AKOS006315525,
AB64413,
AG-0209,
MCULE-9089931365,
SY123701,
AJ-118952,
TX-017597,
MFCD11616141 (95%),
C9H10ClNO2,
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| Complexity | 187 |
| 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 | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number