Home Sulfos 2-(2,5-dibromobenzenesulfonyl)acetonitrile

2-(2,5-dibromobenzenesulfonyl)acetonitrile

CAS No.:
568553-71-9
Catalog Number:
AG019HWO
Molecular Formula:
C8H5Br2NO2S
Molecular Weight:
339.0038
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Product Description
Catalog Number:
AG019HWO
Chemical Name:
2-(2,5-dibromobenzenesulfonyl)acetonitrile
CAS Number:
568553-71-9
Molecular Formula:
C8H5Br2NO2S
Molecular Weight:
339.0038
MDL Number:
MFCD03972108
IUPAC Name:
2-(2,5-dibromophenyl)sulfonylacetonitrile
InChI:
InChI=1S/C8H5Br2NO2S/c9-6-1-2-7(10)8(5-6)14(12,13)4-3-11/h1-2,5H,4H2
InChI Key:
DBSWBTAIYOYELD-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1cc(Br)ccc1Br
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.839g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.001g/mol
Monoisotopic Mass:
336.841g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties