3,5-Dimethyl-2,4,6-trifluorobenzoyl chloride - CAS 886762-25-0
Catalog: |
BB066840 |
Product Name: |
3,5-Dimethyl-2,4,6-trifluorobenzoyl chloride |
CAS: |
886762-25-0 |
Synonyms: |
3,5-Dimethyl-2,4,6-trifluorobenzoyl chloride; 2,4,6-trifluoro-3,5-dimethylbenzoyl chloride; 3,5-Dimethyl-2,4,6-trifluorobenzoylchloride |
IUPAC Name: | 2,4,6-trifluoro-3,5-dimethylbenzoyl chloride |
Description: | 3,5-Dimethyl-2,4,6-trifluorobenzoyl chloride |
Molecular Weight: | 222.59 |
Molecular Formula: | C9H6ClF3O |
Canonical SMILES: | CC1=C(C(=C(C(=C1F)C(=O)Cl)F)C)F |
InChI: | InChI=1S/C9H6ClF3O/c1-3-6(11)4(2)8(13)5(7(3)12)9(10)14/h1-2H3 |
InChI Key: | HTIPFTSPYMRXQN-UHFFFAOYSA-N |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.005927 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.005927 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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