| CAS Number | 128426-51-7 |
| Catalog Number | AG000Y3P(AGN-PC-00TN1B) |
| Chemical Name | 1-chloro-3-(2-chlorophenyl)propan-2-one |
| IUPAC Name | 1-chloro-3-(2-chlorophenyl)propan-2-one |
| InChI | InChI=1S/C9H8Cl2O/c10-6-8(12)5-7-3-1-2-4-9(7)11/h1-4H,5-6H2 |
| InChI Key | DWZLJINQXPVEBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11500772 |
| Molecular Formula | C9H8Cl2O |
| Molecular Weight | 203.0652 |
| SMILES | O=C(CC1=CC=CC=C1Cl)CCl |
| Synonyms | 1-Chloro-3-(2-chlorophenyl)propan-2-one,
128426-51-7,
2-Propanone, 1-chloro-3-(2-chlorophenyl)-,
ACMC-20msug,
SCHEMBL2252410,
CTK0F6184,
DTXSID10582786,
DWZLJINQXPVEBQ-UHFFFAOYSA-N,
MFCD11500772,
ZINC32010144,
AKOS009404856,
KS-00001L70,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.062g/mol |
| Monoisotopic Mass | 201.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number