2-fluorobenzene-1,3,5-tricarbonitrile
Product Information
Molecular Formula
C9H2FN3
Molecular Weight
171.13
IUPAC Name
2-fluorobenzene-1,3,5-tricarbonitrile
SMILES
C1=C(C=C(C(=C1C#N)F)C#N)C#N
InChI
InChI=1S/C9H2FN3/c10-9-7(4-12)1-6(3-11)2-8(9)5-13/h1-2H
InChI Key
QDJOGIDHYNTWNM-UHFFFAOYSA-N
Purity
98%
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
171.02327524
Monoisotopic Mass
171.02327524
Topological Polar Surface Area
71.4
Heavy Atom Count
13
Formal Charge
0
Complexity
310
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3230403-B1 | Organic compounds with soluble groups | 2014-12-12 |
| US-10683453-B2 | Organic compounds with soluble groups | 2014-12-12 |
| WO-2016091353-A1 | Organic compounds with soluble groups | 2014-12-12 |
| US-2016046563-A1 | Synthetic building blocks for the production of materials for organic electroluminescence devices | 2013-03-22 |
| US-9718764-B2 | Synthetic building blocks for the production of materials for organic electroluminescence devices | 2013-03-22 |
