CAS 356783-16-9

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,6-dichloropyrazine-2-carbonitrile

2.1.2 InChI

InChI=1S/C5HCl2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H

2.1.3 InChI Key

UZHXXRRBFJSFCV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(C(=N1)Cl)C#N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 356783-16-9

2. Mfcd22199269

3. 3,6-dichloro-2-pyrazinecarbonitrile

4. Schembl1338461

5. Dtxsid60627393

6. Amy25213

7. Bcp32173

8. Cs-m1937

9. Zinc77011400

10. 2-pyrazinecarbonitrile,3,6-dichloro-

11. Akos005166865

12. Ds-3490

13. Pb48805

14. Sy029032

15. Db-117083

16. Ft-0686295

17. A874545

18. 3,6-dichloro-2-pyrazinecarbonitrile;2-pyrazinecarbonitrile, 3,6-dichloro-

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₅HCl₂N₃
Molecular Weight	173.98 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.9547524 g/mol
Monoisotopic Mass	172.9547524 g/mol
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164
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

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