1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-2,3-diphenylpyrazine

2.1.2 InChI

InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H

2.1.3 InChI Key

VUGNCPVAXWZTOL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 41270-66-0

2. 2,3-diphenyl-5-chloropyrazine

3. 2-chloro-5,6-diphenylpyrazine

4. Mfcd00234892

5. Schembl383762

6. Amy243

7. Dtxsid40394713

8. Bcp14488

9. Cs-m3068

10. Zinc19801057

11. Akos016011827

12. Ds-7038

13. Ac-29196

14. Sy055821

15. Ac-907/25005304

2.3 Create Date

2005-09-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₁ClN₂
Molecular Weight	266.72 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	266.0610761 g/mol
Monoisotopic Mass	266.0610761 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	272
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

CAS 41270-66-0