Home Sulfos 2-(cyanomethyl)benzene-1-sulfonyl chloride

2-(cyanomethyl)benzene-1-sulfonyl chloride

CAS No.:
27350-00-1
Catalog Number:
AG01BGKV
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
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Product Description
Catalog Number:
AG01BGKV
Chemical Name:
2-(cyanomethyl)benzene-1-sulfonyl chloride
CAS Number:
27350-00-1
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD19200115
IUPAC Name:
2-(cyanomethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChI Key:
CFBPIKYUENXQHC-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1S(=O)(=O)Cl
Properties
Complexity:
311  
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:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties