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18989-83-8 | Cyclohexanone, 2,6-bis[(2,4-dichlorophenyl)methylene]-
CAS No: 18989-83-8 Catalog No: AG002E3G MDL No:
Product Description
Catalog Number:
AG002E3G
Chemical Name:
Cyclohexanone, 2,6-bis[(2,4-dichlorophenyl)methylene]-
CAS Number:
18989-83-8
Molecular Formula:
C20H14Cl4O
Molecular Weight:
412.1366
IUPAC Name:
2,6-bis[(2,4-dichlorophenyl)methylidene]cyclohexan-1-one
InChI:
InChI=1S/C20H14Cl4O/c21-16-6-4-12(18(23)10-16)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)11-19(13)24/h4-11H,1-3H2
InChI Key:
KZJYHNUZXHLSFI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C=C1CCCC(=Cc2ccc(cc2Cl)Cl)C1=O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.977g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.131g/mol
Monoisotopic Mass:
409.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.6
Literature
| Title | Journal |
|---|---|
| 2,6-Bis(2,4-dimethyl-benzyl-idene)cyclo-hexa-none. | Acta crystallographica. Section E, Structure reports online 20100601 |
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