| CAS Number | 748183-47-3 |
| Catalog Number | AG01AHOK |
| Chemical Name | 4-(2,4-Difluorophenoxy)Benzoic Acid |
| IUPAC Name | 4-(2,4-difluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H8F2O3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H,16,17) |
| InChI Key | GBNIIFZBFSZDQA-UHFFFAOYSA-N |
| MDL Number | MFCD11529198 |
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.1976 |
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C=C2)F)F |
| Synonyms | 4-(2,4-difluorophenoxy)benzoic acid,
748183-47-3,
SCHEMBL1750329,
GBNIIFZBFSZDQA-UHFFFAOYSA-N,
ZINC20080624,
AKOS000264016,
MCULE-7516804141,
NE29042,
EN300-75334,
Z1259335781,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.201g/mol |
| Monoisotopic Mass | 250.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number