| CAS Number | 1119807-17-8 |
| Catalog Number | AG00HCC3(AGN-PC-0WR739) |
| Chemical Name | methyl (2E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate |
| IUPAC Name | methyl (E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate |
| InChI | InChI=1S/C10H8F3NO2/c1-16-9(15)5-3-7-2-4-8(14-6-7)10(11,12)13/h2-6H,1H3/b5-3+ |
| InChI Key | GJSIGPHXRXJJRY-HWKANZROSA-N |
| MDL Number | MFCD27578513 |
| Molecular Formula | C10H8F3NO2 |
| Molecular Weight | 231.1712 |
| SMILES | COC(=O)/C=C/c1ccc(nc1)C(F)(F)F |
| Synonyms | METHYL (2E)-3-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]PROP-2-ENOATE,
1119807-17-8,
SCHEMBL2948813,
GJSIGPHXRXJJRY-HWKANZROSA-N,
ZINC97756954,
(e)-methyl 3-(6-(trifluoromethyl)pyridin-3-yl)acrylate,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 231.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.174g/mol |
| Monoisotopic Mass | 231.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number