| CAS Number | 111649-72-0 |
| Catalog Number | AG0079E9(AGN-PC-0JVPS6) |
| Chemical Name | p-Fluoro-a-acetamidocinnamic Acid |
| IUPAC Name | 2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C11H10FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)(H,15,16) |
| InChI Key | PYGHVJGHLGZANA-UHFFFAOYSA-N |
| MDL Number | MFCD02683331 |
| Molecular Formula | C11H10FNO3 |
| Molecular Weight | 223.2004 |
| SMILES | CC(=O)NC(=Cc1ccc(F)cc1)C(=O)O |
| Synonyms | p-Fluoro-alpha-acetamidocinnamic Acid,
111649-72-0,
AC1LEO6Q,
2-acetamido-3-(4-fluorophenyl)prop-2-enoic Acid,
p-fluoroacetaminocinnamic acid,
CTK8F0509,
p-Fluoro- -acetamidocinnamic Acid,
AKOS030240118,
MCULE-7217689865,
FT-0668600,
CID739166,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.203g/mol |
| Monoisotopic Mass | 223.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number