| CAS Number | 916420-62-7 |
| Catalog Number | AG00GY6D(AGN-PC-0WAOJ8) |
| Chemical Name | 3,6-Dichloro-2-fluorobenzoic Acid |
| IUPAC Name | 3,6-dichloro-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12) |
| InChI Key | GPDYPRHGLQZRIP-UHFFFAOYSA-N |
| MDL Number | MFCD09025382 |
| Molecular Formula | C7H3Cl2FO2 |
| Molecular Weight | 209.0019 |
| SMILES | C(=O)(O)c1c(F)c(Cl)ccc1Cl |
| Synonyms | 3,6-DICHLORO-2-FLUOROBENZOIC ACID,
916420-62-7,
MFCD09025382,
CTK6G8842,
SBB094136,
ZINC38529756,
AKOS015956905,
FCH1325616,
JS-4616,
PC302187,
ACN-056570,
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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 | 207.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.997g/mol |
| Monoisotopic Mass | 207.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number