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2D Structure
Also known as: 1075705-01-9, 4-fluoro-5-nitro-o-anisidine, 4-fluoro-2-methoxy-5-nitro-aniline, Mfcd23098941, Schembl2924231, Dtxsid90726363
Molecular Formula
C7H7FN2O3
Molecular Weight
186.14  g/mol
InChI Key
FYSIGSQCZXQTIH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-fluoro-2-methoxy-5-nitroaniline
2.1.2 InChI
InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3
2.1.3 InChI Key
FYSIGSQCZXQTIH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1N)[N+](=O)[O-])F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1075705-01-9

2. 4-fluoro-5-nitro-o-anisidine

3. 4-fluoro-2-methoxy-5-nitro-aniline

4. Mfcd23098941

5. Schembl2924231

6. Dtxsid90726363

7. 2-amino-5-fluoro-4-nitroanisole

8. Bcp09961

9. Cs-b0928

10. Am9924

11. Bbl102576

12. Stl556379

13. Zinc88246990

14. Akos017343630

15. Ds-7906

16. Sb13171

17. Ac-30106

18. Sy060358

19. F1246

20. Ft-0777982

21. A856934

2.3 Create Date
2012-08-08
3 Chemical and Physical Properties
Molecular Weight 186.14 g/mol
Molecular Formula C7H7FN2O3
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass186.04407025 g/mol
Monoisotopic Mass186.04407025 g/mol
Topological Polar Surface Area81.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1