4CH-012234

1 2D Structure

4CH-012234

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-5,6,7,8-tetrahydroquinoline

2.1.2 InChI

InChI=1S/C9H10ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2

2.1.3 InChI Key

ZUXMRCHYHAWERW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC2=C(C1)C=CC(=N2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 21172-88-3

2. Schembl2301675

3. Dtxsid50524403

4. Bcp09297

5. Chloro-5,6,7,8-tetrahydroquinoline

6. Mfcd09034992

7. Zinc26507344

8. Akos004120924

9. Cs-w021655

10. Ds-3621

11. Sb68434

12. 2-chloro-5,6,7,8-tetrahydro-quinoline

13. Ac-32013

14. Da-08249

15. Ft-0762958

16. A879213

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClN
Molecular Weight	167.63 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	167.0501770 g/mol
Monoisotopic Mass	167.0501770 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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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