Home Other Building Blocks sodium 2-fluoro-5-(methylsulfamoyl)benzoate

sodium 2-fluoro-5-(methylsulfamoyl)benzoate

CAS No.:
2137591-74-1
Catalog Number:
AG01EL8I
Molecular Formula:
C8H7FNNaO4S
Molecular Weight:
255.1987
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Product Description
Catalog Number:
AG01EL8I
Chemical Name:
sodium 2-fluoro-5-(methylsulfamoyl)benzoate
CAS Number:
2137591-74-1
Molecular Formula:
C8H7FNNaO4S
Molecular Weight:
255.1987
IUPAC Name:
sodium;2-fluoro-5-(methylsulfamoyl)benzoate
InChI:
InChI=1S/C8H8FNO4S.Na/c1-10-15(13,14)5-2-3-7(9)6(4-5)8(11)12;/h2-4,10H,1H3,(H,11,12);/q;+1/p-1
InChI Key:
JNSKKCRRPCHEOA-UHFFFAOYSA-M
SMILES:
CNS(=O)(=O)c1ccc(c(c1)C(=O)[O-])F.[Na+]
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.998g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.195g/mol
Monoisotopic Mass:
254.998g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties