Beijing Mesochem Technology

4CH-011620

Chemistry, 6 End Use API, 40 Related Intermediates

Manufacturers/Suppliers

6 Suppliers

6 Suppliers

Also known as: 143612-79-7, 3-(4-chlorbutyl)-1h-indol-5-carbonitril, 3-(4-chlorobutyl)indole-5-carbonitrile, 1h-indole-5-carbonitrile, 3-(4-chlorobutyl)-, 3-(4-chlorobutyl)-5-cyanoindole, L6dng55pbh

Molecular Formula

C₁₃H₁₃ClN₂

Molecular Weight

232.71 g/mol

InChI Key

NJJWMEJWFYRORL-UHFFFAOYSA-N

FDA UNII

L6DNG55PBH

1 2D Structure

4CH-011620

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-chlorobutyl)-1H-indole-5-carbonitrile

2.1.2 InChI

InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2

2.1.3 InChI Key

NJJWMEJWFYRORL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1C#N)C(=CN2)CCCCCl

2.2 Other Identifiers

2.2.1 UNII

L6DNG55PBH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 143612-79-7

2. 3-(4-chlorbutyl)-1h-indol-5-carbonitril

3. 3-(4-chlorobutyl)indole-5-carbonitrile

4. 1h-indole-5-carbonitrile, 3-(4-chlorobutyl)-

5. 3-(4-chlorobutyl)-5-cyanoindole

6. L6dng55pbh

7. Unii-l6dng55pbh

8. Schembl3082624

9. Dtxsid70432273

10. 3-(4-chloro-butyl)-5-cyanoindole

11. Bcp06422

12. Cs-m1251

13. Cl3519

14. Mfcd09833261

15. Zinc22010755

16. Akos015924756

17. Ac-25875

18. As-19269

19. Da-18262

20. 3-(4-chlorobutyl)-1h-indol-5-carbonitrile

21. Am20020489

22. Ft-0696598

23. A850798

24. A1-00284

25. J-510671

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃ClN₂
Molecular Weight	232.71 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	232.0767261 g/mol
Monoisotopic Mass	232.0767261 g/mol
Topological Polar Surface Area	39.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	270
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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3-(4-chlorobutyl)-1H-indole-5-carbonitrile

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CAS Number

CAS-143612-79-7

End Use API

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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