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

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

CAS No.:
1466712-63-9
Catalog Number:
AG01C2DH
Molecular Formula:
C9H9Cl2NO3S
Molecular Weight:
282.1437
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Product Description
Catalog Number:
AG01C2DH
Chemical Name:
3-chloro-2-methyl-5-(methylcarbamoyl)benzene-1-sulfonyl chloride
CAS Number:
1466712-63-9
Molecular Formula:
C9H9Cl2NO3S
Molecular Weight:
282.1437
MDL Number:
MFCD21224289
IUPAC Name:
3-chloro-2-methyl-5-(methylcarbamoyl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H9Cl2NO3S/c1-5-7(10)3-6(9(13)12-2)4-8(5)16(11,14)15/h3-4H,1-2H3,(H,12,13)
InChI Key:
LPXADVSLDCVFDA-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(Cl)c(c(c1)S(=O)(=O)Cl)C
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.968g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.135g/mol
Monoisotopic Mass:
280.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties