| CAS Number | 1321518-25-5 |
| Catalog Number | AG01BUT1 |
| Chemical Name | 2-(3,5-dichlorophenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(3,5-dichlorophenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C8H4Cl2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3H,(H,12,13) |
| InChI Key | MMCOTMRRXSOFLF-UHFFFAOYSA-N |
| MDL Number | MFCD16293595 |
| Molecular Formula | C8H4Cl2O3 |
| Molecular Weight | 219.0216 |
| SMILES | OC(C(C1=CC(Cl)=CC(Cl)=C1)=O)=O |
| Synonyms | (3,5-Dichlorophenyl)glyoxylic acid,
1321518-25-5,
3,5-Dichlorobenzoylformic acid,
SCHEMBL906304,
MMCOTMRRXSOFLF-UHFFFAOYSA-N,
ZINC75865895,
(3,5-Dichlorophenyl)(oxo)acetic acid,
AKOS023104924,
2-(3,5-dichlorophenyl)-2-oxoacetic acid,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.017g/mol |
| Monoisotopic Mass | 217.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number