| CAS Number | 122520-74-5 |
| Catalog Number | AG019IFW(AGN-PC-0O0FDK) |
| Chemical Name | 2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |
| IUPAC Name | 2-cyano-3-(4-fluorophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14) |
| InChI Key | OBZAFMILNGLRAL-UHFFFAOYSA-N |
| MDL Number | MFCD04612001 |
| Molecular Formula | C10H6FNO2 |
| Molecular Weight | 191.1585 |
| SMILES | N#CC(=Cc1ccc(cc1)F)C(=O)O |
| Synonyms | 2-cyano-3-(4-fluorophenyl)prop-2-enoic acid,
122520-74-5,
AC1L7W0J,
SCHEMBL8743708,
CTK7C4430,
CTK8F4223,
4-fluorobenzylidenecyanoacetic acid,
118409-66-8,
AKOS034343852,
MCULE-3656851489,
Z44303394,
CID367936,
NSC638135,
2-Cyano-3-(4-fluoro-phenyl)-acrylic acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.161g/mol |
| Monoisotopic Mass | 191.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number