Home Sulfos 1,5-Bis(3-bromophenylsulfonyl)-1,5-diazocane

1,5-Bis(3-bromophenylsulfonyl)-1,5-diazocane

CAS No.:
1133116-31-0
Catalog Number:
AG003DPP
Molecular Formula:
C18H20Br2N2O4S2
Molecular Weight:
552.3004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003DPP
Chemical Name:
1,5-Bis(3-bromophenylsulfonyl)-1,5-diazocane
CAS Number:
1133116-31-0
Molecular Formula:
C18H20Br2N2O4S2
Molecular Weight:
552.3004
MDL Number:
MFCD11855949
IUPAC Name:
1,5-bis[(3-bromophenyl)sulfonyl]-1,5-diazocane
InChI:
InChI=1S/C18H20Br2N2O4S2/c19-15-5-1-7-17(13-15)27(23,24)21-9-3-11-22(12-4-10-21)28(25,26)18-8-2-6-16(20)14-18/h1-2,5-8,13-14H,3-4,9-12H2
InChI Key:
XUBSPPCOKWQFGT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)N1CCCN(CCC1)S(=O)(=O)c1cccc(c1)Br
Properties
Complexity:
651  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.921g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.296g/mol
Monoisotopic Mass:
549.923g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties