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Also known as: 443882-99-3, 2-chloro-1-((3-fluorobenzyl)oxy)-4-nitrobenzene, 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene, 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene, 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene
Molecular Formula
C13H9ClFNO3
Molecular Weight
281.66  g/mol
InChI Key
SFTHVDYRPHJAND-UHFFFAOYSA-N

CAS 443882-99-3
1 2D Structure

CAS 443882-99-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
2.1.2 InChI
InChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
2.1.3 InChI Key
SFTHVDYRPHJAND-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 443882-99-3

2. 2-chloro-1-((3-fluorobenzyl)oxy)-4-nitrobenzene

3. 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene

4. 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene

5. 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene

6. 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene

7. Schembl141880

8. Dtxsid30427605

9. Sfthvdyrphjand-uhfffaoysa-n

10. Amy32631

11. Bcp04145

12. Ar3626

13. Mfcd06809827

14. Akos008351462

15. Ac-8506

16. Ds-18411

17. 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro

18. 4-(3-fluorobenzyloxy)-3-chloro Nitrobenzene

19. C2875

20. Cs-0008657

21. Ft-0651811

22. 2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzen

23. A826562

24. Ar-527/43363310

25. Q-101355

26. 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-benzene;2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 281.66 g/mol
Molecular Formula C13H9ClFNO3
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area55
Heavy Atom Count19
Formal Charge0
Complexity313
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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