| CAS Number | 331-41-9 |
| Catalog Number | AG01AM5B(AGN-PC-03KL0O) |
| Chemical Name | 2-(4-Chloro-3-Fluorophenoxy)Acetic Acid |
| IUPAC Name | 2-(4-chloro-3-fluorophenoxy)acetic acid |
| InChI | InChI=1S/C8H6ClFO3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | MJANPPVGNVZMAI-UHFFFAOYSA-N |
| MDL Number | MFCD06823830 |
| Molecular Formula | C8H6ClFO3 |
| Molecular Weight | 204.5828 |
| SMILES | OC(=O)COc1ccc(c(c1)F)Cl |
| Synonyms | 331-41-9,
2-(4-chloro-3-fluorophenoxy)acetic acid,
SCHEMBL7491758,
ZINC75880733,
AKOS023110591,
Acetic acid, 2-(4-chloro-3-fluorophenoxy)-,
Z2216303091,
2-(4-chloro-3-fluorophenoxy)-acetic acid,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.581g/mol |
| Monoisotopic Mass | 203.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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