| CAS Number | 1027514-19-7 |
| Catalog Number | AG00P2EJ(AGN-PC-3H458E) |
| Chemical Name | 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H4ClF3O2/c9-5-3-4(1-2-6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14) |
| InChI Key | DFBBKEDRIACDMM-UHFFFAOYSA-N |
| MDL Number | MFCD11007719 |
| Molecular Formula | C8H4ClF3O2 |
| Molecular Weight | 224.5644 |
| SMILES | OC(C(C1=CC(Cl)=C(F)C=C1)(F)F)=O |
| Synonyms | 1027514-19-7,
(3-Chloro-4-fluorophenyl)-difluoroacetic acid,
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid,
2,2-difluoro-2-(3-chloro-4-fluorophenyl)acetic acid,
SCHEMBL16681508,
CTK7I4129,
DFBBKEDRIACDMM-UHFFFAOYSA-N,
MFCD11007719,
ZINC31829529,
AKOS023905656,
FS-6528,
DB-016401,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.563g/mol |
| Monoisotopic Mass | 223.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number