| CAS Number | 21550-07-2 |
| Catalog Number | AG01DW8L(AGN-PC-0NILA7) |
| Chemical Name | 1-(2-Chlorophenyl)butan-1-one |
| IUPAC Name | 1-(2-chlorophenyl)butan-1-one |
| InChI | InChI=1S/C10H11ClO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7H,2,5H2,1H3 |
| InChI Key | FDPBBAUOCMWIAO-UHFFFAOYSA-N |
| MDL Number | MFCD12780201 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CCCC(C1=C(Cl)C=CC=C1)=O |
| Synonyms | 1-(2-Chlorophenyl)butan-1-one,
21550-07-2,
SCHEMBL633349,
CTK0I9311,
DTXSID50490250,
1-Butanone, 1-(2-chlorophenyl)-,
AKOS010258805,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.647g/mol |
| Monoisotopic Mass | 182.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number