Home Sulfos 5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride

5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride

CAS No.:
1481595-14-5
Catalog Number:
AG01B9WQ
Molecular Formula:
C9H9Cl2NO4S
Molecular Weight:
298.1431
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Product Description
Catalog Number:
AG01B9WQ
Chemical Name:
5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride
CAS Number:
1481595-14-5
Molecular Formula:
C9H9Cl2NO4S
Molecular Weight:
298.1431
MDL Number:
MFCD21224286
IUPAC Name:
5-chloro-2-methoxy-3-(methylcarbamoyl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H9Cl2NO4S/c1-12-9(13)6-3-5(10)4-7(8(6)16-2)17(11,14)15/h3-4H,1-2H3,(H,12,13)
InChI Key:
BYEHDACQOCMNTN-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(Cl)cc(c1OC)S(=O)(=O)Cl
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.963g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.134g/mol
Monoisotopic Mass:
296.963g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties