CAS 142404-69-1

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

4. 2-(4,alpha-dichlorobenzyl)pyridine

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

6. Pyridine, 2-(chloro(4-chlorophenyl)methyl)-

7. Ccris 5988

8. Schembl14033203

9. Dtxsid10931432

10. Cs-b0345

11. Mfcd08272341

12. Akos016000210

13. Ds-0571

14. 2-[chloro(4-chlorophenyl)methyl]-pyridine

15. Am20080947

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

17. 404c691

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉Cl₂N
Molecular Weight	238.11 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	237.0112047 g/mol
Monoisotopic Mass	237.0112047 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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