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254749-11-6 | 2-Chloro-4-cyanobenzene-1-sulfonyl chloride
CAS No: 254749-11-6 Catalog No: AG003GWY MDL No:MFCD00177089
Product Description
Catalog Number:
AG003GWY
Chemical Name:
2-Chloro-4-cyanobenzene-1-sulfonyl chloride
CAS Number:
254749-11-6
Molecular Formula:
C7H3Cl2NO2S
Molecular Weight:
236.0752
MDL Number:
MFCD00177089
IUPAC Name:
2-chloro-4-cyanobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3Cl2NO2S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3H
InChI Key:
GNJOWOAPHOFJBW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)S(=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
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