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Also known as: 356783-28-3, 3,6-difluoro-2-pyrazinecarbonitrile, Mfcd22199270, 2-pyrazinecarbonitrile,3,6-difluoro-, Ampz0001, Schembl1338236
Molecular Formula
C5HF2N3
Molecular Weight
141.08  g/mol
InChI Key
ONECIHYIQJRNTP-UHFFFAOYSA-N

CAS 356783-28-3
1 2D Structure

CAS 356783-28-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,6-difluoropyrazine-2-carbonitrile
2.1.2 InChI
InChI=1S/C5HF2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H
2.1.3 InChI Key
ONECIHYIQJRNTP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(N=C(C(=N1)F)C#N)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 356783-28-3

2. 3,6-difluoro-2-pyrazinecarbonitrile

3. Mfcd22199270

4. 2-pyrazinecarbonitrile,3,6-difluoro-

5. Ampz0001

6. Schembl1338236

7. Dtxsid00627392

8. Bcp28347

9. Zinc77011405

10. Akos005166866

11. Am85411

12. Ac-33289

13. As-47169

14. Sy239763

15. Cs-0000095

16. Ft-0686296

17. F12442

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 141.08 g/mol
Molecular Formula C5HF2N3
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass141.01385337 g/mol
Monoisotopic Mass141.01385337 g/mol
Topological Polar Surface Area49.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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