| CAS Number | 56072-00-5 |
| Catalog Number | AG01A53F |
| Chemical Name | 2-(3,4-dichlorophenyl)-2,2-difluoroacetic acid |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H4Cl2F2O2/c9-5-2-1-4(3-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14) |
| InChI Key | NHZDLBDSYBPCQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11007699 |
| Molecular Formula | C8H4Cl2F2O2 |
| Molecular Weight | 241.0190 |
| SMILES | O=C(O)C(F)(C1=CC=C(Cl)C(Cl)=C1)F |
| Synonyms | 2-(3,4-dichlorophenyl)-2,2-difluoroacetic acid,
56072-00-5,
SCHEMBL1774639,
CTK7I4125,
NHZDLBDSYBPCQZ-UHFFFAOYSA-N,
ZINC31829511,
AKOS011827895,
NE47202,
(3,4-DICHLOROPHENYL)-DIFLUOROACETIC ACID,
Benzeneacetic acid, 3,4-dichloro-?,?-difluoro-,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.015g/mol |
| Monoisotopic Mass | 239.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number