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20244-61-5 | 2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-
CAS No: 20244-61-5 Catalog No: AG002898 MDL No:MFCD00001589
Product Description
Catalog Number:
AG002898
Chemical Name:
2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-
CAS Number:
20244-61-5
Molecular Formula:
C6H2Br4O
Molecular Weight:
409.6955
MDL Number:
MFCD00001589
IUPAC Name:
2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChI Key:
NJQJGRGGIUNVAB-UHFFFAOYSA-N
SMILES:
BrC1=CC(Br)(Br)C=C(C1=O)Br
EC Number:
243-638-7
NSC Number:
176338
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.68g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.697g/mol
Monoisotopic Mass:
405.684g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis of (+)-cortistatin A. | Journal of the American Chemical Society 20080611 |
| Vanadium bromoperoxidase-catalyzed biosynthesis of halogenated marine natural products. | Journal of the American Chemical Society 20041124 |
| 1,3-Dibromo-5,5-dimethylhydantoin (DBH) as oxidant and precipitant for drug identification according to PH. EUR Analytical methods of pharmacopoeias with DBH in respect of environmental and economical concern, Part 15(1). | Die Pharmazie 20020601 |
| A new approach to the reduction of sulfoxides to sulfides with 1,3-dithiane in the presence of electrophilic bromine as catalyst. | The Journal of organic chemistry 20020503 |
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