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CAS 141761-83-3
PharmaCompass
  • Chemistry
CAS 141761-83-3
Also known as: 141761-83-3, Methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-carboxylate, 6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylic acid methyl ester, Ak119036, Methyl 6-chloro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylate, Ctk8g9350
Molecular Formula
C11H10ClNO4
Molecular Weight
255.654  g/mol
InChI Key
KZFHRCILXZTJNB-UHFFFAOYSA-N

1 2D Structure

CAS 141761-83-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
2.1.2 InChI
InChI=1S/C11H10ClNO4/c1-13-8-4-6(12)3-7(11(15)16-2)10(8)17-5-9(13)14/h3-4H,5H2,1-2H3
2.1.3 InChI Key
KZFHRCILXZTJNB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=O)COC2=C1C=C(C=C2C(=O)OC)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 141761-83-3

2. Methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-carboxylate

3. 6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylic Acid Methyl Ester

4. Ak119036

5. Methyl 6-chloro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylate

6. Ctk8g9350

7. Dtxsid40473799

8. Molport-027-834-786

9. Ks-00000r0m

10. 6907aa

11. Mfcd13185960

12. Zinc36460561

13. Akos015908590

14. Ds-5556

15. Ls40799

16. Vz32688

17. Aj-92955

18. Ax8244452

19. Kb-248340

20. Ft-0664635

21. St24048046

22. 761c833

23. I14-34412

24. Methyl 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate

25. 2h-1,4-benzoxazine-8-carboxylicacid,6-chloro-3,4-dihydro-4-methyl-3-oxo-, Methyl Ester

26. 6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylicacidmethlyester

27. 6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylic Acid Methyl Ester

28. Methyl 6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-carboxylate

29. Methyl 6-chloro-4-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate

2.3 Create Date
2006-10-28
3 Chemical and Physical Properties
Molecular Weight 255.654 g/mol
Molecular Formula C11H10ClNO4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass255.03 g/mol
Monoisotopic Mass255.03 g/mol
Topological Polar Surface Area55.8 A^2
Heavy Atom Count17
Formal Charge0
Complexity335
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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