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CAS 1075705-01-9
PharmaCompass
CAS 1075705-01-9
Also known as: 1075705-01-9, 4-fluoro-5-nitro-o-anisidine, Ak144694, Schembl2924231, Dtxsid90726363, 2-amino-5-fluoro-4-nitroanisole
Molecular Formula
C7H7FN2O3
Molecular Weight
186.142  g/mol
InChI Key
FYSIGSQCZXQTIH-UHFFFAOYSA-N

1 2D Structure

CAS 1075705-01-9

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. Ak144694

4. Schembl2924231

5. Dtxsid90726363

6. 2-amino-5-fluoro-4-nitroanisole

7. Fysigsqczxqtih-uhfffaoysa-n

8. Molport-027-946-163

9. Cs-b0928

10. Zx-ap002847

11. 4-fluoro-2-methoxy-5-nitro-aniline

12. 9516af

13. Mfcd23098941

14. Zinc88246990

15. Akos017343630

16. Acn-036298

17. Ds-7906

18. Fch3744084

19. Pc49321

20. Ks-000002a9

21. Kb-79983

22. Sc-95057

23. Benzenamine, 4-fluoro-2-methoxy-5-nitro-

24. Aj-128201

25. Ax8262741

2.3 Create Date
2012-08-08
3 Chemical and Physical Properties
Molecular Weight 186.142 g/mol
Molecular Formula C7H7FN2O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass186.044 g/mol
Monoisotopic Mass186.044 g/mol
Topological Polar Surface Area81.1 A^2
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
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