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CID 17860063

PubChem CID
17860063
Structure
CID 17860063_small.png
Molecular Formula
Status
Non-live
Molecular Weight
209.19 g/mol
Dates
  • Create:
    2007-12-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 17860063.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-difluorobenzene;2-ethenyl-1,3-oxazole

2.1.2 InChI

InChI=1S/C6H4F2.C5H5NO/c7-5-3-1-2-4-6(5)8;1-2-5-6-3-4-7-5/h1-4H;2-4H,1H2

2.1.3 InChIKey

ASMLJTZGZDPOLR-UHFFFAOYSA-N

2.1.4 SMILES

C=CC1=NC=CO1.C1=CC=C(C(=C1)F)F

2.2 Molecular Formula

C11H9F2NO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
209.19 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
209.06522023 g/mol
Property Name
Monoisotopic Mass
Property Value
209.06522023 g/mol
Property Name
Topological Polar Surface Area
Property Value
26A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
135
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS