| CAS Number | 128437-98-9 |
| Catalog Number | AG019UTI(AGN-PC-0PISJT) |
| Chemical Name | 3-(3,4-Dichlorophenyl)-2-oxopropanoic acid |
| IUPAC Name | 3-(3,4-dichlorophenyl)-2-oxopropanoic acid |
| InChI | InChI=1S/C9H6Cl2O3/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3H,4H2,(H,13,14) |
| InChI Key | VXGFACIYULBZRD-UHFFFAOYSA-N |
| MDL Number | MFCD09729220 |
| Molecular Formula | C9H6Cl2O3 |
| Molecular Weight | 233.0481 |
| SMILES | O=C(O)C(CC1=CC=C(Cl)C(Cl)=C1)=O |
| Synonyms | 3-(3,4-dichlorophenyl)-2-oxopropanoic acid,
128437-98-9,
3-(3,4-dichloro-phenyl)-2-oxo-propionic acid,
AC1Q71MG,
SCHEMBL2164422,
CTK7I3770,
VXGFACIYULBZRD-UHFFFAOYSA-N,
ARJ100057,
ZINC22166698,
AKOS000138214,
MCULE-9393679381,
NE14308,
EN300-42761,
Z234896633,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.044g/mol |
| Monoisotopic Mass | 231.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number