CAS 81282-60-2

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Also known as: 81282-60-2, 7-aminobenzo[d]oxazol-2(3h)-one, 7-amino-3h-1,3-benzoxazol-2-one, 7-aminobenzoxazol-2(3h)-one, 2(3h)-benzoxazolone, 7-amino-, 7-amino-3h-benzooxazol-2-one

Molecular Formula

C₇H₆N₂O₂

Molecular Weight

150.13 g/mol

InChI Key

CLCPWTXGFUIRJE-UHFFFAOYSA-N

FDA UNII

4735Y92350

1 2D Structure

CAS 81282-60-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-amino-3H-1,3-benzoxazol-2-one

2.1.2 InChI

InChI=1S/C7H6N2O2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,8H2,(H,9,10)

2.1.3 InChI Key

CLCPWTXGFUIRJE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C2C(=C1)NC(=O)O2)N

2.2 Other Identifiers

2.2.1 UNII

4735Y92350

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 81282-60-2

2. 7-aminobenzo[d]oxazol-2(3h)-one

3. 7-amino-3h-1,3-benzoxazol-2-one

4. 7-aminobenzoxazol-2(3h)-one

5. 2(3h)-benzoxazolone, 7-amino-

6. 7-amino-3h-benzooxazol-2-one

7. Mfcd09753616

8. 7-amino-1,3-benzoxazol-2(3h)-one

9. 4735y92350

10. 7-amino-2-benzoxazolinone

11. Unii-4735y92350

12. 7-amino-2-benzoxazolone

13. 7-amino-2,3-dihydro-1,3-benzoxazol-2-one

14. 7-amino-2-hydroxybenzoxazole

15. 7-aminobenzo[d]oxazol-2-ol

16. Schembl1250234

17. Dtxsid80231037

18. 7-amino-2-hydroxybenzo[d]oxazole

19. Clcpwtxgfuirje-uhfffaoysa-n

20. Akos006327730

21. Pb48717

22. Ac-30142

23. Sy055244

24. A9989

25. Bb 0305923

26. Cs-0089315

27. Ft-0661587

28. En300-110287

29. Q27258997

30. Z1198223473

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆N₂O₂
Molecular Weight	150.13 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.4
Heavy Atom Count	11
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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