CAS 73792-06-0

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-amino-2-fluorobenzoate

2.1.2 InChI

InChI=1S/C9H10FNO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2,11H2,1H3

2.1.3 InChI Key

NNMJPCUZFNRTEG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(C=C(C=C1)N)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73792-06-0

2. Ethyl4-amino-2-fluorobenzoate

3. 4-amino-2-fluorobenzoic Acid Ethyl Ester

4. Benzoic Acid, 4-amino-2-fluoro-, Ethyl Ester

5. Schembl751617

6. Ethyl 2-fluoro-4-aminobenzoate

7. Ethyl-4-amino-2-fluorobenzoate

8. Ethyl 2-fluoro-4-amino-benzoate

9. Dtxsid20444982

10. 2,2,5-triethylthiomorpholin-3-one

11. 4-amino-3-ethyl-2-fluoro-benzoate

12. Ab2828

13. Mfcd09037895

14. Akos010973506

15. Mb06864

16. 2-fluoro-4-aminobenzoic Acid Ethyl Ester

17. As-44657

18. Da-03185

19. 4-amino-2-fluoro-benzoic Acid Ethyl Ester

20. Cs-0131702

21. Ft-0648049

22. En300-879927

23. A837928

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀FNO₂
Molecular Weight	183.18 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52.3
Heavy Atom Count	13
Formal Charge	0
Complexity	187
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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