| CAS Number | 1485267-27-3 |
| Catalog Number | AG01AGAR |
| Chemical Name | 2-chloro-6-(3-chloro-4-fluorophenoxy)benzoic acid |
| IUPAC Name | 2-chloro-6-(3-chloro-4-fluorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H7Cl2FO3/c14-8-2-1-3-11(12(8)13(17)18)19-7-4-5-10(16)9(15)6-7/h1-6H,(H,17,18) |
| InChI Key | AGILPIWWKWXLRT-UHFFFAOYSA-N |
| MDL Number | MFCD18629596 |
| Molecular Formula | C13H7Cl2FO3 |
| Molecular Weight | 301.0973 |
| SMILES | OC(C1=C(OC2=CC(Cl)=C(F)C=C2)C=CC=C1Cl)=O |
| Synonyms | 2-chloro-6-(3-chloro-4-fluorophenoxy)benzoic acid,
1485267-27-3,
ZINC95954814,
AKOS013192654,
MCULE-6468844345,
NE44493,
Z1762997357,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.094g/mol |
| Monoisotopic Mass | 299.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number