| CAS Number | 1368752-05-9 |
| Catalog Number | AG01BDFD |
| Chemical Name | 2-chloro-2-(3,4-dichlorophenyl)acetic acid |
| IUPAC Name | 2-chloro-2-(3,4-dichlorophenyl)acetic acid |
| InChI | InChI=1S/C8H5Cl3O2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,(H,12,13) |
| InChI Key | KITYSJQANLRAJJ-UHFFFAOYSA-N |
| MDL Number | MFCD21892473 |
| Molecular Formula | C8H5Cl3O2 |
| Molecular Weight | 239.4831 |
| SMILES | OC(C(C1=CC(Cl)=C(Cl)C=C1)Cl)=O |
| Synonyms | 2-chloro-2-(3,4-dichlorophenyl)acetic acid,
1368752-05-9,
SCHEMBL4837077,
AKOS022549938,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.476g/mol |
| Monoisotopic Mass | 237.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number