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2D Structure
Also known as: 956317-36-5, Dtxsid20693236, Ec 689-732-5, Dtxcid90643985, 689-732-5, 5-methyl-2-(triazol-2-yl)benzoic acid
Molecular Formula
C10H9N3O2
Molecular Weight
203.20  g/mol
InChI Key
SRBAGFIYKNQXDV-UHFFFAOYSA-N
FDA UNII
L6G8CGH2VL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methyl-2-(triazol-2-yl)benzoic acid
2.1.2 InChI
InChI=1S/C10H9N3O2/c1-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)
2.1.3 InChI Key
SRBAGFIYKNQXDV-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
L6G8CGH2VL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 956317-36-5

2. Dtxsid20693236

3. Ec 689-732-5

4. Dtxcid90643985

5. 689-732-5

6. 5-methyl-2-(triazol-2-yl)benzoic Acid

7. 2-(2h-1,2,3-triazol-2-yl)-5-methylbenzoic Acid

8. Mfcd18382679

9. Benzoic Acid, 5-methyl-2-(2h-1,2,3-triazol-2-yl)-

10. L6g8cgh2vl

11. Schembl934700

12. Schembl29588462

13. Srbagfiyknqxdv-uhfffaoysa-n

14. Bcp07977

15. Cs-m1398

16. Akos016011642

17. Ds-6295

18. Pb25675

19. Sy046861

20. Db-345992

21. M2935

22. Ns00006276

23. 5-methyl-2-1,2,3-triazol-2-ylbenzoic Acid

24. 5-methyl-2-[1,2,3]triazol-2-yl-benzoic Acid

25. 5-methyl-2-(1,2,3-triazol-2-yl) Benzoic Acid

26. 5-methyl-2-(2h-1,2,3-triazol-2-yl)benzoicacid

27. (+/-) 2-(2h-1,2,3-triazol-2-yl)-5-methylbenzoic Acid

28. 5-methyl-2-(2h-1,2,3-triazol-2-yl)benzoic Acid;suvorexant Intermediate

2.4 Create Date
2011-08-01
3 Chemical and Physical Properties
Molecular Weight 203.20 g/mol
Molecular Formula C10H9N3O2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area68
Heavy Atom Count15
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1