Home Sulfos 1-(2-chloroethylsulfonyl)-4-nitro-benzene

1-(2-chloroethylsulfonyl)-4-nitro-benzene

CAS No.:
6461-63-8
Catalog Number:
AG00EQBX
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00EQBX
Chemical Name:
1-(2-chloroethylsulfonyl)-4-nitro-benzene
CAS Number:
6461-63-8
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD01124705
IUPAC Name:
1-(2-chloroethylsulfonyl)-4-nitrobenzene
InChI:
InChI=1S/C8H8ClNO4S/c9-5-6-15(13,14)8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChI Key:
XJTIHTHZQXELBZ-UHFFFAOYSA-N
SMILES:
ClCCS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
71933
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties