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CAS 142404-69-1
PharmaCompass
CAS 142404-69-1
Also known as: 142404-69-1, 2-[chloro(4-chlorophenyl)methyl]pyridine, Pyridine, 2-[chloro(4-chlorophenyl)methyl]-, Ak-89426, 2-(4,alpha-dichlorobenzyl)pyridine, 2-[chloro-(4-chlorophenyl)methyl]pyridine
Molecular Formula
C12H9Cl2N
Molecular Weight
238.111  g/mol
InChI Key
JJOZASAAOCISAR-UHFFFAOYSA-N

1 2D Structure

CAS 142404-69-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[chloro-(4-chlorophenyl)methyl]pyridine
2.1.2 InChI
InChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
2.1.3 InChI Key
JJOZASAAOCISAR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 142404-69-1

2. 2-[chloro(4-chlorophenyl)methyl]pyridine

3. Pyridine, 2-[chloro(4-chlorophenyl)methyl]-

4. Ak-89426

5. 2-(4,alpha-dichlorobenzyl)pyridine

6. 2-[chloro-(4-chlorophenyl)methyl]pyridine

7. Schembl14033203

8. Ctk8b6678

9. Molport-023-329-903

10. Cs-b0345

11. Ks-00000q4c

12. 6966aa

13. Anw-53995

14. Mfcd08272341

15. Akos016000210

16. Ds-0571

17. An-31685

18. Kb-80202

19. 2-[chloro(4-chlorophenyl)methyl]-pyridine

20. Ax8232211

21. Tc-142740

22. 4ch-003023

23. Am20080947

24. Pyridine,2-[chloro(4-chlorophenyl)methyl]-

25. St24021850

26. 404c691

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 238.111 g/mol
Molecular Formula C12H9Cl2N
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass237.011 g/mol
Monoisotopic Mass237.011 g/mol
Topological Polar Surface Area12.9 A^2
Heavy Atom Count15
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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