| CAS Number | 920501-49-1 |
| Catalog Number | AG01BCT8(AGN-PC-0VXXZR) |
| Chemical Name | 2-(4-Chloro-2-fluorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(4-chloro-2-fluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H10ClFO2/c1-10(2,9(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,14) |
| InChI Key | LCPPRRNODFGFNM-UHFFFAOYSA-N |
| MDL Number | MFCD11041475 |
| Molecular Formula | C10H10ClFO2 |
| Molecular Weight | 216.6366 |
| SMILES | CC(C1=C(F)C=C(Cl)C=C1)(C(O)=O)C |
| Synonyms | 2-(4-chloro-2-fluorophenyl)-2-methylpropanoic acid,
920501-49-1,
SCHEMBL1625406,
LCPPRRNODFGFNM-UHFFFAOYSA-N,
Benzeneacetic acid, 4-chloro-2-fluoro-alpha,alpha-dimethyl-,
ZINC75934424,
AKOS017554606,
NE14843,
Z2510258086,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.636g/mol |
| Monoisotopic Mass | 216.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number