| CAS Number | 1153088-42-6 |
| Catalog Number | AG01AHOL |
| Chemical Name | 4-(3,4-Difluorophenoxy)benzoic acid |
| IUPAC Name | 4-(3,4-difluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H8F2O3/c14-11-6-5-10(7-12(11)15)18-9-3-1-8(2-4-9)13(16)17/h1-7H,(H,16,17) |
| InChI Key | DRSHBFVQGWCVMK-UHFFFAOYSA-N |
| MDL Number | MFCD12076712 |
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.1976 |
| SMILES | FC=1C=C(OC2=CC=C(C(=O)O)C=C2)C=CC1F |
| Synonyms | 4-(3,4-difluorophenoxy)benzoic acid,
1153088-42-6,
SCHEMBL14994509,
ZINC36750053,
AKOS009572555,
MCULE-8321918315,
NE27117,
EN300-75335,
Z1259335764,
|
| 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