CAS 796848-79-8

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BUILDING BLOCK

4 Suppliers, 4 End Use APIs, 32 Related Intermediates

4 Suppliers
4 End Use APIs
32 Related Intermediates

Chemistry

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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