| CAS Number | 1198401-58-9 |
| Catalog Number | AG00947B(AGN-PC-0WA2EF) |
| Chemical Name | (E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)-acrylate |
| IUPAC Name | methyl (E)-3-(2-chloro-5-methylpyridin-3-yl)prop-2-enoate |
| InChI | InChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3+ |
| InChI Key | KNMMNFCPGOFVTG-ONEGZZNKSA-N |
| MDL Number | MFCD13563056 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | COC(=O)/C=C/c1cc(C)cnc1Cl |
| Synonyms | (E)-METHYL 3-(2-CHLORO-5-METHYLPYRIDIN-3-YL)-ACRYLATE,
1198401-58-9,
(E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)acrylate,
AC1Q41K4,
CHEMBL570382,
MFCD13563056,
ZINC39961299,
AKOS015851290,
TR-070626,
Z8129,
A-6173,
methyl (2E)-3-(2-chloro-5-methylpyridin-3-yl)prop-2-enoate,
(E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)acrylate, AldrichCPR,
C10H10ClNO2,
KNMMNFCPGOFVTG-ONEGZZNKSA-N,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 211.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.645g/mol |
| Monoisotopic Mass | 211.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number