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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

CAS 796848-79-8
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 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

BUILDING BLOCK

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