Home Sulfos 2-bromo-N1-methylbenzene-1,4-disulfonamide

2-bromo-N1-methylbenzene-1,4-disulfonamide

CAS No.:
1852785-88-6
Catalog Number:
AG01ELAP
Molecular Formula:
C7H9BrN2O4S2
Molecular Weight:
329.1914
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Product Description
Catalog Number:
AG01ELAP
Chemical Name:
2-bromo-N1-methylbenzene-1,4-disulfonamide
CAS Number:
1852785-88-6
Molecular Formula:
C7H9BrN2O4S2
Molecular Weight:
329.1914
MDL Number:
MFCD31665044
IUPAC Name:
2-bromo-1-N-methylbenzene-1,4-disulfonamide
InChI:
InChI=1S/C7H9BrN2O4S2/c1-10-16(13,14)7-3-2-5(4-6(7)8)15(9,11)12/h2-4,10H,1H3,(H2,9,11,12)
InChI Key:
ZKRFROKQYHPTGO-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1Br)S(=O)(=O)N
Properties
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.919g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.183g/mol
Monoisotopic Mass:
327.919g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties