CAS 443882-99-3

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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

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 Formula	C₁₃H₉ClFNO₃
Molecular Weight	281.66 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55
Heavy Atom Count	19
Formal Charge	0
Complexity	313
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