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Also known as: 73792-06-0, Ethyl4-amino-2-fluorobenzoate, 4-amino-2-fluorobenzoic acid ethyl ester, Benzoic acid, 4-amino-2-fluoro-, ethyl ester, Schembl751617, Ethyl 2-fluoro-4-aminobenzoate
Molecular Formula
C9H10FNO2
Molecular Weight
183.18  g/mol
InChI Key
NNMJPCUZFNRTEG-UHFFFAOYSA-N

CAS 73792-06-0
1 2D Structure

CAS 73792-06-0

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 Weight 183.18 g/mol
Molecular Formula C9H10FNO2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area52.3
Heavy Atom Count13
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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IMCAS World Congress
Not Confirmed

Ethyl 4-amino-2-fluorobenzoate or 2-Fluoro-4-amino...

CAS Number : 73792-06-0

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