Home Other Building Blocks 2,6-difluoro-3-(methylsulfamoyl)benzoic acid

2,6-difluoro-3-(methylsulfamoyl)benzoic acid

CAS No.:
1039993-93-5
Catalog Number:
AG01B15Y
Molecular Formula:
C8H7F2NO4S
Molecular Weight:
251.2073
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Product Description
Catalog Number:
AG01B15Y
Chemical Name:
2,6-difluoro-3-(methylsulfamoyl)benzoic acid
CAS Number:
1039993-93-5
Molecular Formula:
C8H7F2NO4S
Molecular Weight:
251.2073
MDL Number:
MFCD11120772
IUPAC Name:
2,6-difluoro-3-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H7F2NO4S/c1-11-16(14,15)5-3-2-4(9)6(7(5)10)8(12)13/h2-3,11H,1H3,(H,12,13)
InChI Key:
XEJQTMPTFBEQLE-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(c(c1F)C(=O)O)F
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.006g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.204g/mol
Monoisotopic Mass:
251.006g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties