| CAS Number | 1378847-99-4 |
| Catalog Number | AG01A2V9 |
| Chemical Name | 4-Fluoro-3-propanoylbenzoic acid |
| IUPAC Name | 4-fluoro-3-propanoylbenzoic acid |
| InChI | InChI=1S/C10H9FO3/c1-2-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,14) |
| InChI Key | HJFDGBROCIOCHF-UHFFFAOYSA-N |
| MDL Number | MFCD20659028 |
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.1751 |
| SMILES | CCC(C1=C(F)C=CC(C(O)=O)=C1)=O |
| Synonyms | 4-fluoro-3-propanoylbenzoic acid,
1378847-99-4,
SCHEMBL1602112,
4-Fluoro-3-propionylbenzoic acid,
HJFDGBROCIOCHF-UHFFFAOYSA-N,
ZINC88611555,
AKOS033599079,
MCULE-1913098836,
NE26313,
Z1820078645,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.177g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number