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Home Sulfos 4-Amino-6-chloro-benzene-1,3-disulfonyl dichloride

4-Amino-6-chloro-benzene-1,3-disulfonyl dichloride

CAS No.:
671-89-6
Catalog Number:
AG003KQC
Molecular Formula:
C6H4Cl3NO4S2
Molecular Weight:
324.5893
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
~95%
In Stock USA
United States
$87
- +
5g
~95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003KQC
Chemical Name:
4-Amino-6-chloro-benzene-1,3-disulfonyl dichloride
CAS Number:
671-89-6
Molecular Formula:
C6H4Cl3NO4S2
Molecular Weight:
324.5893
MDL Number:
MFCD00024873
IUPAC Name:
4-amino-6-chlorobenzene-1,3-disulfonyl chloride
InChI:
InChI=1S/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2
InChI Key:
YIZXGHNDQUYDDF-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c(cc1S(=O)(=O)Cl)S(=O)(=O)Cl
EC Number:
211-586-4
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.865g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.571g/mol
Monoisotopic Mass:
322.865g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Mass spectrometric behavior of thiazide-based diuretics after electrospray ionization and collision-induced dissociation. Analytical chemistry 20020801
Properties