Jinan Xinke Pharmaceutical Science And Technology | CAS 796848-79-8 | End Use API | Intermediate

CAS 796848-79-8

Chemistry, 4 End Use API, 24 Related Intermediates

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Also known as: 796848-79-8, Urea, n-(2-chloro-4-hydroxyphenyl)-n'-cyclopropyl-, N-(2-chloro-4-hydroxyphenyl)-n'-cyclopropylurea, Me92, Xu2t7br757, Me-92

Molecular Formula

C₁₀H₁₁ClN₂O₂

Molecular Weight

226.66 g/mol

InChI Key

QVPZNUIZEVRITP-UHFFFAOYSA-N

FDA UNII

XU2T7BR757

1 2D Structure

CAS 796848-79-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea

2.1.2 InChI

InChI=1S/C10H11ClN2O2/c11-8-5-7(14)3-4-9(8)13-10(15)12-6-1-2-6/h3-6,14H,1-2H2,(H2,12,13,15)

2.1.3 InChI Key

QVPZNUIZEVRITP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1NC(=O)NC2=C(C=C(C=C2)O)Cl

2.2 Other Identifiers

2.2.1 UNII

XU2T7BR757

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 796848-79-8

2. Urea, N-(2-chloro-4-hydroxyphenyl)-n'-cyclopropyl-

3. N-(2-chloro-4-hydroxyphenyl)-n'-cyclopropylurea

4. Me92

5. Xu2t7br757

6. Me-92

7. Unii-xu2t7br757

8. Schembl1322743

9. Dtxsid00630907

10. Amy16449

11. Bcp09853

12. Mfcd20414638

13. Zinc59692735

14. Akos014115865

15. Ac-30141

16. Bs-50789

17. Cs-0014252

18. 1-(2-chloro-4-hydroxypenyl)-3-cyclopropylurea

19. F11566

20. 1-(2-chloro-4-hydroxyphenyl)-3-cyclopropyl Urea

21. A851912

22. 1-(2-chloro-4-hydroxy-phenyl)-3-cyclopropyl-urea

23. A1-02308

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁ClN₂O₂
Molecular Weight	226.66 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.0509053 g/mol
Monoisotopic Mass	226.0509053 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246
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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CAS Number

796848-79-8

Intermediate Name

1-(2-chloro-4-hydroxyphenyl)-3-cycl...

About the Company

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.

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