Home Sulfos 3-chloro-2-cyanobenzene-1-sulfonyl chloride

3-chloro-2-cyanobenzene-1-sulfonyl chloride

CAS No.:
80023-25-2
Catalog Number:
AG01AI9G
Molecular Formula:
C7H3Cl2NO2S
Molecular Weight:
236.0752
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Product Description
Catalog Number:
AG01AI9G
Chemical Name:
3-chloro-2-cyanobenzene-1-sulfonyl chloride
CAS Number:
80023-25-2
Molecular Formula:
C7H3Cl2NO2S
Molecular Weight:
236.0752
MDL Number:
MFCD16780024
IUPAC Name:
3-chloro-2-cyanobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3Cl2NO2S/c8-6-2-1-3-7(5(6)4-10)13(9,11)12/h1-3H
InChI Key:
FJRVDPLJNHWGSE-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cccc1S(=O)(=O)Cl
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.926g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.066g/mol
Monoisotopic Mass:
234.926g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties