Home Sulfos methyl 3-(chlorosulfonyl)pyridine-2-carboxylate

methyl 3-(chlorosulfonyl)pyridine-2-carboxylate

CAS No.:
1000887-24-0
Catalog Number:
AG01BCGQ
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
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Product Description
Catalog Number:
AG01BCGQ
Chemical Name:
methyl 3-(chlorosulfonyl)pyridine-2-carboxylate
CAS Number:
1000887-24-0
Molecular Formula:
C7H6ClNO4S
Molecular Weight:
235.6448
MDL Number:
MFCD19201239
IUPAC Name:
methyl 3-chlorosulfonylpyridine-2-carboxylate
InChI:
InChI=1S/C7H6ClNO4S/c1-13-7(10)6-5(14(8,11)12)3-2-4-9-6/h2-4H,1H3
InChI Key:
NPGWMJZYBJTPRV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncccc1S(=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:
1.1  
Properties