| CAS Number | 376584-53-1 |
| Catalog Number | AG01EK8G(AGN-PC-0REEMJ) |
| Chemical Name | 3-(3,4-Dichlorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(3,4-dichlorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H10Cl2O2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14) |
| InChI Key | MIUCWTDZLBDHBE-UHFFFAOYSA-N |
| MDL Number | MFCD12794499 |
| Molecular Formula | C10H10Cl2O2 |
| Molecular Weight | 233.0912 |
| SMILES | CC(C(O)=O)CC1=CC(Cl)=C(Cl)C=C1 |
| Synonyms | 3-(3,4-dichlorophenyl)-2-methylpropanoic acid,
376584-53-1,
SCHEMBL5130053,
MIUCWTDZLBDHBE-UHFFFAOYSA-N,
AKOS005217845,
DA-06322,
FT-0756250,
3,4-dichloro-alpha-methyl-benzenepropanoic acid,
3-(3,4-dichlorophenyl)-2-methyl propionic acid,
3-(3,4-dichlorophenyl)-2-methyl-propionic acid,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.088g/mol |
| Monoisotopic Mass | 232.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number