| CAS Number | 455-57-2 |
| Catalog Number | AG01ACK4 |
| Chemical Name | 3-Chloro-5-fluoro-4-hydroxybenzoic acid |
| IUPAC Name | 3-chloro-5-fluoro-4-hydroxybenzoic acid |
| InChI | InChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) |
| InChI Key | ISRQCNONLNOPTB-UHFFFAOYSA-N |
| MDL Number | MFCD20641557 |
| Molecular Formula | C7H4ClFO3 |
| Molecular Weight | 190.5563 |
| SMILES | O=C(O)C1=CC(F)=C(O)C(Cl)=C1 |
| Synonyms | 3-chloro-5-fluoro-4-hydroxybenzoic acid,
455-57-2,
SCHEMBL2684340,
ISRQCNONLNOPTB-UHFFFAOYSA-N,
MFCD20641557,
ZINC95829720,
AKOS023798841,
NE25040,
3-Chloro-5-fluoro-4-hydroxy-benzoic acid,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.554g/mol |
| Monoisotopic Mass | 189.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number