| CAS Number | 1178279-26-9 |
| Catalog Number | AG01AAQ2 |
| Chemical Name | 2-(3,4-dichlorophenyl)-2-ethylbutanoic acid |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-ethylbutanoic acid |
| InChI | InChI=1S/C12H14Cl2O2/c1-3-12(4-2,11(15)16)8-5-6-9(13)10(14)7-8/h5-7H,3-4H2,1-2H3,(H,15,16) |
| InChI Key | PRLURMLDJMDTDM-UHFFFAOYSA-N |
| MDL Number | MFCD12774744 |
| Molecular Formula | C12H14Cl2O2 |
| Molecular Weight | 261.1444 |
| SMILES | CCC(C1=CC(Cl)=C(Cl)C=C1)(C(O)=O)CC |
| Synonyms | 2-(3,4-dichlorophenyl)-2-ethylbutanoic acid,
1178279-26-9,
AC1Q2SDZ,
ZINC37934489,
AKOS010213482,
MCULE-2888525725,
NE15545,
EN300-69263,
Z1270387262,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.142g/mol |
| Monoisotopic Mass | 260.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number