(E)-Methyl 3-(4-chloropyridin-3-yl)acrylate - CAS 1228670-06-1
Catalog: |
BB075866 |
Product Name: |
(E)-Methyl 3-(4-chloropyridin-3-yl)acrylate |
CAS: |
1228670-06-1 |
Synonyms: |
(E)-Methyl 3-(4-chloropyridin-3-yl)acrylate; methyl (E)-3-(4-chloropyridin-3-yl)prop-2-enoate; Methyl 3-(4-chloropyridin-3-yl)acrylate; Methyl3-(4-chloropyridin-3-yl)acrylate; (E)-Methyl 3-(4-chloropyridin-3-yl)acrylate, AldrichCPR |
IUPAC Name: | methyl (E)-3-(4-chloropyridin-3-yl)prop-2-enoate |
Description: | (E)-Methyl 3-(4-chloropyridin-3-yl)acrylate |
Molecular Weight: | 197.62 |
Molecular Formula: | C9H8ClNO2 |
Canonical SMILES: | COC(=O)C=CC1=C(C=CN=C1)Cl |
InChI: | InChI=1S/C9H8ClNO2/c1-13-9(12)3-2-7-6-11-5-4-8(7)10/h2-6H,1H3/b3-2+ |
InChI Key: | VIGHFUPVCJZKGK-NSCUHMNNSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 197.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.0243562 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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