| CAS Number | 52240-14-9 |
| Catalog Number | AG006VHH(AGN-PC-0SCGK4) |
| Chemical Name | 4-(2,5-Dichlorophenyl)-4-oxobutyric acid |
| IUPAC Name | 4-(2,5-dichlorophenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C10H8Cl2O3/c11-6-1-2-8(12)7(5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15) |
| InChI Key | FZLOKTSWFCRCNC-UHFFFAOYSA-N |
| MDL Number | MFCD02260935 |
| Molecular Formula | C10H8Cl2O3 |
| Molecular Weight | 247.0747 |
| SMILES | OC(CCC(C1=C(Cl)C=CC(Cl)=C1)=O)=O |
| Synonyms | 4-(2,5-dichlorophenyl)-4-oxobutyric acid,
52240-14-9,
4-(2,5-dichlorophenyl)-4-oxobutanoic acid,
SCHEMBL5081092,
CTK4J5648,
DTXSID60645416,
ZINC2579928,
4872AE,
MFCD02260935,
AKOS009375487,
MCULE-8344112034,
NE55269,
TX-010935,
Z1695821912,
C10H8Cl2O3,
4- -4-OXOBUTYRICACID,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.071g/mol |
| Monoisotopic Mass | 245.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number