| CAS Number | 444170-17-6 |
| Catalog Number | AG019RT3 |
| Chemical Name | 2-(3,4-Difluorophenyl)propanoic acid |
| IUPAC Name | 2-(3,4-difluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H8F2O2/c1-5(9(12)13)6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13) |
| InChI Key | JVOHBPFLXAVCDU-UHFFFAOYSA-N |
| MDL Number | MFCD11036857 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | CC(C1=CC(F)=C(F)C=C1)C(O)=O |
| Synonyms | 2-(3,4-difluorophenyl)propanoic acid,
444170-17-6,
SCHEMBL1533399,
3,4-difluorophenyl propionic acid,
JVOHBPFLXAVCDU-UHFFFAOYSA-N,
AKOS008146331,
MCULE-8196586223,
NE41792,
EN300-90395,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number