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

2-(2,5-dichlorobenzenesulfonyl)acetonitrile

CAS No.:
691887-83-9
Catalog Number:
AG00J00J
Molecular Formula:
C8H5Cl2NO2S
Molecular Weight:
250.1018
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00J00J
Chemical Name:
2-(2,5-dichlorobenzenesulfonyl)acetonitrile
CAS Number:
691887-83-9
Molecular Formula:
C8H5Cl2NO2S
Molecular Weight:
250.1018
MDL Number:
MFCD00171062
IUPAC Name:
2-(2,5-dichlorophenyl)sulfonylacetonitrile
InChI:
InChI=1S/C8H5Cl2NO2S/c9-6-1-2-7(10)8(5-6)14(12,13)4-3-11/h1-2,5H,4H2
InChI Key:
IRJNWLRPOROPQA-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1cc(Cl)ccc1Cl
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.942g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.093g/mol
Monoisotopic Mass:
248.942g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties