| CAS Number | 90705-86-5 |
| Catalog Number | AG01AS1M(AGN-PC-00MRF5) |
| Chemical Name | 2-(2,4-Dimethylphenyl)acetyl chloride |
| IUPAC Name | 2-(2,4-dimethylphenyl)acetyl chloride |
| InChI | InChI=1S/C10H11ClO/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3 |
| InChI Key | VHSRWRNGXYOGJU-UHFFFAOYSA-N |
| MDL Number | MFCD26940504 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CC1=CC(C)=C(CC(Cl)=O)C=C1 |
| Synonyms | 90705-86-5,
2-(2,4-dimethylphenyl)acetyl chloride,
(2,4-dimethylphenyl)acetyl chloride,
Benzeneacetyl chloride, 2,4-dimethyl-,
SCHEMBL2530247,
ZINC34069261,
AKOS026676964,
F2146-0438,
|
| Complexity | 167 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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