CID 28523260
PubChem CID
28523260
Structure
Molecular Formula
Status
Non-live
Molecular Weight
294.25 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2,6-difluoro-3-(2-methoxyethylsulfamoyl)benzoate
InChI=1S/C10H11F2NO5S/c1-18-5-4-13-19(16,17)7-3-2-6(11)8(9(7)12)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)/p-1
HBLANMUVHQVEPE-UHFFFAOYSA-M
COCCNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)[O-])F
C10H10F2NO5S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
294.25 g/mol
Property Name
XLogP3-AA
Property Value
1.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
294.02477492 g/mol
Property Name
Monoisotopic Mass
Property Value
294.02477492 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
405
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS