Home Sulfos 4-(2-cyanoethyl)benzene-1-sulfonyl chloride

4-(2-cyanoethyl)benzene-1-sulfonyl chloride

CAS No.:
2089277-45-0
Catalog Number:
AG01BXOR
Molecular Formula:
C9H8ClNO2S
Molecular Weight:
229.6833
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Product Description
Catalog Number:
AG01BXOR
Chemical Name:
4-(2-cyanoethyl)benzene-1-sulfonyl chloride
CAS Number:
2089277-45-0
Molecular Formula:
C9H8ClNO2S
Molecular Weight:
229.6833
MDL Number:
MFCD30724104
IUPAC Name:
4-(2-cyanoethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H8ClNO2S/c10-14(12,13)9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
InChI Key:
CAVXUPWSUXHFDV-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.678g/mol
Monoisotopic Mass:
228.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties