| CAS Number | 887585-13-9 |
| Catalog Number | AG00H1U5(AGN-PC-0WAOWA) |
| Chemical Name | 2-(6-Chloro-2,3-difluorophenyl)acetic acid |
| IUPAC Name | 2-(6-chloro-2,3-difluorophenyl)acetic acid |
| InChI | InChI=1S/C8H5ClF2O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
| InChI Key | RPTVDWIUTLULDO-UHFFFAOYSA-N |
| MDL Number | MFCD07368098 |
| Molecular Formula | C8H5ClF2O2 |
| Molecular Weight | 206.5739 |
| SMILES | OC(CC1=C(Cl)C=CC(F)=C1F)=O |
| Synonyms | 887585-13-9,
6-CHLORO-2,3-DIFLUOROPHENYLACETIC ACID,
2-(6-CHLORO-2,3-DIFLUOROPHENYL)ACETIC ACID,
MFCD07368098,
SCHEMBL18301625,
ZINC21985413,
AKOS015961688,
AB31679,
JS-5045,
6-Chloro-2,3-difluorobenzene acetic acid,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.573g/mol |
| Monoisotopic Mass | 205.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number