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2D Structure
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

2D Structure

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 Weight 226.66 g/mol
Molecular Formula C10H11ClN2O2
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.0509053 g/mol
Monoisotopic Mass226.0509053 g/mol
Topological Polar Surface Area61.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1