sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-

2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-

CAS No.:
20244-61-5
Catalog Number:
AG002898
Molecular Formula:
C6H2Br4O
Molecular Weight:
409.6955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
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
Properties