Home Sulfos 3-chloro-4-methyl-5-nitrobenzene-1-sulfonamide

3-chloro-4-methyl-5-nitrobenzene-1-sulfonamide

CAS No.:
861560-71-6
Catalog Number:
AG019N9F
Molecular Formula:
C7H7ClN2O4S
Molecular Weight:
250.6595
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Product Description
Catalog Number:
AG019N9F
Chemical Name:
3-chloro-4-methyl-5-nitrobenzene-1-sulfonamide
CAS Number:
861560-71-6
Molecular Formula:
C7H7ClN2O4S
Molecular Weight:
250.6595
MDL Number:
MFCD09735405
IUPAC Name:
3-chloro-4-methyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H7ClN2O4S/c1-4-6(8)2-5(15(9,13)14)3-7(4)10(11)12/h2-3H,1H3,(H2,9,13,14)
InChI Key:
ZFOQSWIUBPNRMO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)Cl)S(=O)(=O)N
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.982g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
249.982g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties