sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 4,9-Dibromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone

4,9-Dibromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone

CAS No.:
83204-68-6
Catalog Number:
AG003A45
Molecular Formula:
C14H2Br2O6
Molecular Weight:
425.9701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$75
- +
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$363
- +
5g
95%
In Stock USA
United States
$1275
- +
Product Description
Catalog Number:
AG003A45
Chemical Name:
4,9-Dibromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone
CAS Number:
83204-68-6
Molecular Formula:
C14H2Br2O6
Molecular Weight:
425.9701
MDL Number:
MFCD00406909
IUPAC Name:
2,9-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
InChI:
InChI=1S/C14H2Br2O6/c15-5-1-3-7-8-4(12(18)22-13(19)9(5)8)2-6(16)10(7)14(20)21-11(3)17/h1-2H
InChI Key:
FEDCHNPLDKDTNS-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c3c1cc(Br)c1c3c(cc2Br)C(=O)OC1=O
Properties
Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.82g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.972g/mol
Monoisotopic Mass:
423.822g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Experimental evidence for the functional relevance of anion-pi interactions. Nature chemistry 20100701
Properties