| CAS Number | 1951451-53-8 |
| Catalog Number | AG00I3D7(AGN-PC-0WP1T2) |
| Chemical Name | Ethyl (2E)-3-(3-fluoropyridin-2-yl)prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(3-fluoropyridin-2-yl)prop-2-enoate |
| InChI | InChI=1S/C10H10FNO2/c1-2-14-10(13)6-5-9-8(11)4-3-7-12-9/h3-7H,2H2,1H3/b6-5+ |
| InChI Key | KEUSREIRCXGIRL-AATRIKPKSA-N |
| MDL Number | MFCD30182424 |
| Molecular Formula | C10H10FNO2 |
| Molecular Weight | 195.1903 |
| SMILES | CCOC(/C=C/C1=C(F)C=CC=N1)=O |
| Synonyms | Ethyl (2E)-3-(3-fluoropyridin-2-yl)prop-2-enoate,
1951451-53-8,
Ethyl 3-(3-fluoropyridin-2-yl)acrylate,
CS-0090929,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 195.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.193g/mol |
| Monoisotopic Mass | 195.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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