Home Sulfos 2-trifluoromethanesulfonylpyridine-3-carboxylic acid

2-trifluoromethanesulfonylpyridine-3-carboxylic acid

CAS No.:
1221722-71-9
Catalog Number:
AG01A87D
Molecular Formula:
C7H4F3NO4S
Molecular Weight:
255.1712
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Product Description
Catalog Number:
AG01A87D
Chemical Name:
2-trifluoromethanesulfonylpyridine-3-carboxylic acid
CAS Number:
1221722-71-9
Molecular Formula:
C7H4F3NO4S
Molecular Weight:
255.1712
MDL Number:
MFCD15209652
IUPAC Name:
2-(trifluoromethylsulfonyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO4S/c8-7(9,10)16(14,15)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)
InChI Key:
SMPLSZPZRCGNNZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.981g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.167g/mol
Monoisotopic Mass:
254.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties