1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid

2.1.2 InChI

InChI=1S/C9H8ClNO3/c10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8/h3H,1-2,11H2,(H,12,13)

2.1.3 InChI Key

KRMUVKSAOVLXLF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC2=C1C(=C(C=C2C(=O)O)Cl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 123654-26-2

2. 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic Acid

3. 4-amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic Acid

4. 4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic Acid

5. 7-benzofurancarboxylic Acid, 4-amino-5-chloro-2,3-dihydro-

6. Mfcd12923204

7. 4-amino-5-chlorocoumaran-7-carboxylic Acid

8. Schembl1502018

9. 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylicacid

10. Dtxsid50442754

11. Amy34926

12. Bcp07807

13. Akos016006919

14. Pb24062

15. Ac-28383

16. As-19583

17. Sy025646

18. Db-014424

19. Cs-0051044

20. Ft-0753298

21. J-004969

22. J-514392

23. 4-amino-5-chloro-2, 3-dihydrobenzo[b]furan-7-carboxylic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₈ClNO₃
Molecular Weight	213.62 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	72.6
Heavy Atom Count	14
Formal Charge	0
Complexity	248
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

123654-26-2

123654-26-2

CHEMISTRY

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