Home Sulfos 5-Chlorosulfonyl-nicotinic acid methyl ester

5-Chlorosulfonyl-nicotinic acid methyl ester

CAS No.:
594839-14-2
Catalog Number:
AG00EK0K
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
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Product Description
Catalog Number:
AG00EK0K
Chemical Name:
5-Chlorosulfonyl-nicotinic acid methyl ester
CAS Number:
594839-14-2
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD19160571
IUPAC Name:
methyl 5-chlorosulfonylpyridine-3-carboxylate
InChI:
InChI=1S/C7H6ClNO4S/c1-13-7(10)5-2-6(4-9-3-5)14(8,11)12/h2-4H,1H3
InChI Key:
MRZZIJUGMGGPLK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)S(=O)(=O)Cl
Properties
Complexity:
310  
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:
0
Isotope Atom Count:
0
Molecular Weight:
235.638g/mol
Monoisotopic Mass:
234.971g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties