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Overview of CAS 1218-69-5

Client Email Product
4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
PharmaCompass
4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-
Also known as: 1218-69-5, 2-(2-hydroxyphenyl)-4h-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one, 4h-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-, Ak-79680, 2-(2-hydroxyphenyl)benz[e][1,3]oxazin-4-one
Molecular Formula
C14H9NO3
Molecular Weight
239.23  g/mol
InChI Key
NSWIROGSZPXREF-UHFFFAOYSA-N

1 2D Structure

4H-1,3-Benzoxazin-4-one, 2-(2-hydroxyphenyl)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
2.1.2 InChI
InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
2.1.3 InChI Key
NSWIROGSZPXREF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1218-69-5

2. 2-(2-hydroxyphenyl)-4h-1,3-benzoxazin-4-one

3. 2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one

4. 4h-1,3-benzoxazin-4-one, 2-(2-hydroxyphenyl)-

5. Ak-79680

6. 2-(2-hydroxyphenyl)benz[e][1,3]oxazin-4-one

7. 2-(2-hydroxyphenyl)-4h-1,3-benzoxazine-4-one

8. Ae-848/09052017

9. 2-(2-hydroxyphenyl)benz(e][1,3]oxazin-4-one

10. Oprea1_522502

11. Schembl61277

12. Deferasirox Benzoxazin Impurity

13. Ctk4b2818

14. Nswirogszpxref-uhfffaoysa-n

15. Bcp11393

16. Ebd51256

17. 4141aa

18. Anw-68414

19. Mfcd02234511

20. Zinc39279020

21. Akos015909621

22. Ac-8966

23. Am84357

24. Or51823

25. Ss-4797

26. Sy030380

27. Ax8237568

28. Db-061981

29. Tc-157159

30. Ft-0670006

31. St24039202

32. 2-(2-hydroxyphenyl)-benz[1,3]oxazin-4-one

33. Mfcd02234511 (95%)

34. 2-(2-hydroxyphenyl)benz[e][1,3]oxazin4-one

35. 2-(2-hydroxyphenyl)-1,3(4h)-benzoxazin-4-one

36. 2-(2-hydroxyphenyl)-benz[e][1,3]oxazin-4-one

37. 2-(2-hydroxyphenyl)-4h-1,3-benzooxazine-4-one

38. 218h695

39. 2-(2-hydroxy-phenyl)-benzo[e][1,3]oxazin-4-one

40. J-505646

41. 2-(2-hydroxyphenyl) Benz [e] [1, 3] Oxazin-4-one

2.3 Create Date
2019-01-16
3 Chemical and Physical Properties
Molecular Weight 239.23 g/mol
Molecular Formula C14H9NO3
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass239.058243 g/mol
Monoisotopic Mass239.058243 g/mol
Topological Polar Surface Area58.9
Heavy Atom Count18
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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