Home Sulfos 4-chloro-2-(cyanomethyl)benzene-1-sulfonyl chloride

4-chloro-2-(cyanomethyl)benzene-1-sulfonyl chloride

CAS No.:
1557469-14-3
Catalog Number:
AG01ALBK
Molecular Formula:
C8H5Cl2NO2S
Molecular Weight:
250.1018
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Product Description
Catalog Number:
AG01ALBK
Chemical Name:
4-chloro-2-(cyanomethyl)benzene-1-sulfonyl chloride
CAS Number:
1557469-14-3
Molecular Formula:
C8H5Cl2NO2S
Molecular Weight:
250.1018
MDL Number:
MFCD26032773
IUPAC Name:
4-chloro-2-(cyanomethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H5Cl2NO2S/c9-7-1-2-8(14(10,12)13)6(5-7)3-4-11/h1-2,5H,3H2
InChI Key:
JKKAYMTVGBZEHK-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Cl)ccc1S(=O)(=O)Cl
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.942g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.093g/mol
Monoisotopic Mass:
248.942g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties