1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;hydrochloride

2.1.2 InChI

InChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H

2.1.3 InChI Key

CGXSFPJGZFRGNL-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1289646-93-0

2. 815-386-3

3. Mfcd31556162

4. 6-isoquinolinecarboxylic Acid,5,7-dichloro-1,2,3,4-tetrahydro-,hydrochloride(1:1)

5. 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid;hydrochloride

6. 6-isoquinolinecarboxylic Acid, 5,7-dichloro-1,2,3,4-tetrahydro-, Hydrochloride (1:1)

7. C10h10cl3no2

8. Schembl20703506

9. Sb74517

10. Ac-32538

11. Sy254154

12. Db-129200

13. Cs-0129860

14. F52935

15. 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid Hcl

16. 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacidhydrochloride

17. 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid Hydrochloride, 95%

18. 6-isoquinolinecarboxylic Acid, 5,7-dichloro-1,2,3,4-tetrahydro-, Hcl (1:1)

19. 6-isoquinolinecarboxylic Acid, 5,7-dichloro-1,2,3,4-tetrahydro-, Hydrochloride

2.3 Create Date

2018-12-20

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀Cl₃NO₂
Molecular Weight	282.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	49.3
Heavy Atom Count	16
Formal Charge	0
Complexity	262
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	2

CAS 1289646-93-0