1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone - CAS 81590-38-7
Catalog: |
BB066722 |
Product Name: |
1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone |
CAS: |
81590-38-7 |
Synonyms: |
Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-; 2-CHLORO-1-(2,2-DIPHENYL-1,3-BENZODIOXOL-5-YL)ETHANONE; 1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone |
IUPAC Name: | 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)ethanone |
Description: | Used in the preparation of anthocyanins. |
Molecular Weight: | 350.8 |
Molecular Formula: | C21H15ClO3 |
Canonical SMILES: | C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)CCl)C4=CC=CC=C4 |
InChI: | InChI=1S/C21H15ClO3/c22-14-18(23)15-11-12-19-20(13-15)25-21(24-19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2 |
InChI Key: | JNKDWKZIKYADJR-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 350.070972 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 350.070972 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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