| CAS Number | 1246090-95-8 |
| Catalog Number | AG00HHQB(AGN-PC-0WAO6N) |
| Chemical Name | (E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate |
| IUPAC Name | methyl (E)-3-(6-cyano-5-fluoropyridin-3-yl)prop-2-enoate |
| InChI | InChI=1S/C10H7FN2O2/c1-15-10(14)3-2-7-4-8(11)9(5-12)13-6-7/h2-4,6H,1H3/b3-2+ |
| InChI Key | BFGIHTQPQHUEJY-NSCUHMNNSA-N |
| MDL Number | MFCD17171330 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | COC(=O)/C=C/c1cnc(c(c1)F)C#N |
| Synonyms | (E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)-acrylate,
1246090-95-8,
methyl (2E)-3-(6-cyano-5-fluoropyridin-3-yl)prop-2-enoate,
AC1Q41KJ,
DTXSID30678397,
3070AD,
MFCD17171330,
ZINC66054275,
AKOS015836121,
TR-072250,
(E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)acrylate,
(E)-Methyl 3-(6-cyano-5-fluoropyridin-3-yl)acrylate, AldrichCPR,
C10H7FN2O2,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number