| CAS Number | 943114-50-9 |
| Catalog Number | AG01B2IN |
| Chemical Name | 3-Chloro-4-[(3-fluorophenyl)methoxy]benzoic acid |
| IUPAC Name | 3-chloro-4-[(3-fluorophenyl)methoxy]benzoic acid |
| InChI | InChI=1S/C14H10ClFO3/c15-12-7-10(14(17)18)4-5-13(12)19-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18) |
| InChI Key | RIRZJNDLDRPHJF-UHFFFAOYSA-N |
| MDL Number | MFCD13202082 |
| Molecular Formula | C14H10ClFO3 |
| Molecular Weight | 280.6788 |
| SMILES | OC(C1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1)=O |
| Synonyms | 3-chloro-4-[(3-fluorophenyl)methoxy]benzoic Acid,
943114-50-9,
ZINC7603967,
AKOS000346230,
3-chloro-4-[(3-fluorobenzyl)oxy]benzoic acid,
Z64762107,
AC1PC5AX,
CID8706997,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.03025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.68g/mol |
| Monoisotopic Mass | 280.03025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number