1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone - CAS 164165-77-9
Catalog: |
BB068744 |
Product Name: |
1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone |
CAS: |
164165-77-9 |
Synonyms: |
1-(2,5-Dichloro-3,6-dimethylphenyl)ethan-1-one |
IUPAC Name: | 1-(2,5-dichloro-3,6-dimethylphenyl)ethanone |
Description: | 1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone is an intermediate in the synthesis of 5(6)-Hexachlorocarboxyfluorescein (C278325); a chlorinated version of 5(6)-Carboxyfluorescein (C178315). 5(6)-FAM, A useful reagent for the preparation of hydrolytically stable fluorescent conjugates and is a useful starting material for the synthesis of other fluorescein-derives reagent. |
Molecular Weight: | 217.09 |
Molecular Formula: | C10H10Cl2O |
Canonical SMILES: | CC1=CC(=C(C(=C1Cl)C(=O)C)C)Cl |
InChI: | InChI=1S/C10H10Cl2O/c1-5-4-8(11)6(2)9(7(3)13)10(5)12/h4H,1-3H3 |
InChI Key: | XWFCYZDVVZNOKA-UHFFFAOYSA-N |
References: | Theisen, P., et al. Tetrahedron Lett., 33, 5033 (1992), Mattingly, P. Bioconjgate Chem., 3, 430 (1992, Bertrand, R., et al. Biochemistry, 34, 9500 (1995). |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0108703 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0108703 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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