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CID 28523260

PubChem CID
28523260
Structure
CID 28523260_small.png
Molecular Formula
Status
Non-live
Molecular Weight
294.25 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28523260.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6-difluoro-3-(2-methoxyethylsulfamoyl)benzoate

2.1.2 InChI

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

2.1.3 InChIKey

HBLANMUVHQVEPE-UHFFFAOYSA-M

2.1.4 SMILES

COCCNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)[O-])F

2.2 Molecular Formula

C10H10F2NO5S-

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS