Home Sulfos 4-cyano-2-methylbenzene-1-sulfonyl chloride

4-cyano-2-methylbenzene-1-sulfonyl chloride

CAS No.:
1251110-16-3
Catalog Number:
AG01AK5R
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
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Product Description
Catalog Number:
AG01AK5R
Chemical Name:
4-cyano-2-methylbenzene-1-sulfonyl chloride
CAS Number:
1251110-16-3
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD16093711
IUPAC Name:
4-cyano-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S/c1-6-4-7(5-10)2-3-8(6)13(9,11)12/h2-4H,1H3
InChI Key:
VLUSOMHSAVNNLL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)S(=O)(=O)Cl
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.981g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.651g/mol
Monoisotopic Mass:
214.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties