CID 28065165
PubChem CID
28065165
Structure
Molecular Formula
Status
Non-live
Molecular Weight
206.19 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
5-fluoro-1,3-dimethylindole-2-carboxylate
InChI=1S/C11H10FNO2/c1-6-8-5-7(12)3-4-9(8)13(2)10(6)11(14)15/h3-5H,1-2H3,(H,14,15)/p-1
FCTGUFFMXLWGPP-UHFFFAOYSA-M
CC1=C(N(C2=C1C=C(C=C2)F)C)C(=O)[O-]
C11H9FNO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
206.19 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
206.06173169 g/mol
Property Name
Monoisotopic Mass
Property Value
206.06173169 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.1 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
266
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
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CONTENTS