| CAS Number | 1453089-75-2 |
| Catalog Number | AG01C08G |
| Chemical Name | (2E)-3-(4-fluoronaphthalen-1-yl)prop-2-enoic acid |
| IUPAC Name | 3-(4-fluoronaphthalen-1-yl)prop-2-enoic acid |
| InChI | InChI=1S/C13H9FO2/c14-12-7-5-9(6-8-13(15)16)10-3-1-2-4-11(10)12/h1-8H,(H,15,16) |
| InChI Key | CFKPJMKVXIDBOL-UHFFFAOYSA-N |
| MDL Number | MFCD19653947 |
| Molecular Formula | C13H9FO2 |
| Molecular Weight | 216.2078 |
| SMILES | OC(/C=C/C1=C2C(C=CC=C2)=C(F)C=C1)=O |
| Synonyms | 1453089-75-2,
(2E)-3-(4-fluoronaphthalen-1-yl)prop-2-enoic acid,
AKOS017403863,
(2E)-3-(4-fluoronaphthalen-1-yl)prop-2-enoic acid, E,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number