Home Sulfos 3-(cyanomethyl)benzene-1-sulfonyl chloride

3-(cyanomethyl)benzene-1-sulfonyl chloride

CAS No.:
1545937-52-7
Catalog Number:
AG01BGHO
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
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Product Description
Catalog Number:
AG01BGHO
Chemical Name:
3-(cyanomethyl)benzene-1-sulfonyl chloride
CAS Number:
1545937-52-7
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD26032775
IUPAC Name:
3-(cyanomethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S/c9-13(11,12)8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChI Key:
UJVGOWVIEWCNEW-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)S(=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  
Properties