Home Sulfos 2-(chlorosulfonyl)pyridine-4-carboxylic acid

2-(chlorosulfonyl)pyridine-4-carboxylic acid

CAS No.:
1314899-09-6
Catalog Number:
AG01BBJA
Molecular Formula:
C6H4ClNO4S
Molecular Weight:
221.6183
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Product Description
Catalog Number:
AG01BBJA
Chemical Name:
2-(chlorosulfonyl)pyridine-4-carboxylic acid
CAS Number:
1314899-09-6
Molecular Formula:
C6H4ClNO4S
Molecular Weight:
221.6183
MDL Number:
MFCD19200863
IUPAC Name:
2-chlorosulfonylpyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4ClNO4S/c7-13(11,12)5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChI Key:
FFFSCIPJGYLENK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)S(=O)(=O)Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.611g/mol
Monoisotopic Mass:
220.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties