Home Sulfos 5-chloro-2-methanesulfonylpyridine-4-carboxylic acid

5-chloro-2-methanesulfonylpyridine-4-carboxylic acid

CAS No.:
1803603-82-8
Catalog Number:
AG01B9CV
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
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Product Description
Catalog Number:
AG01B9CV
Chemical Name:
5-chloro-2-methanesulfonylpyridine-4-carboxylic acid
CAS Number:
1803603-82-8
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD28714513
IUPAC Name:
5-chloro-2-methylsulfonylpyridine-4-carboxylic acid
InChI:
InChI=1S/C7H6ClNO4S/c1-14(12,13)6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChI Key:
YPCOSDUUCOMYQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ncc1Cl)S(=O)(=O)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.971g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.638g/mol
Monoisotopic Mass:
234.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties