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CAS 3383-72-0
Also known as: 3383-72-0, 4-(2-chloroethoxy)nitrobenzene, 2-(4-nitrophenoxy)ethyl chloride, Benzene, 1-(2-chloroethoxy)-4-nitro-, 4-nitro-1-(2-chloroethoxy)benzene, Mfcd00674505
Molecular Formula
C8H8ClNO3
Molecular Weight
201.61  g/mol
InChI Key
OBCFOPGCTNULTG-UHFFFAOYSA-N

1 2D Structure

CAS 3383-72-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-chloroethoxy)-4-nitrobenzene
2.1.2 InChI
InChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
2.1.3 InChI Key
OBCFOPGCTNULTG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3383-72-0

2. 4-(2-chloroethoxy)nitrobenzene

3. 2-(4-nitrophenoxy)ethyl Chloride

4. Benzene, 1-(2-chloroethoxy)-4-nitro-

5. 4-nitro-1-(2-chloroethoxy)benzene

6. Mfcd00674505

7. 2-[4-nitrophenoxy]ethyl Chloride

8. 4-nitro-(2-chloroethoxy)benzene

9. 2-chloroethyl 4-nitrophenyl Ether

10. 1-(2-chloro-ethoxy)-4-nitro-benzene

11. Beta-chloro-4-nitrophenethole

12. Schembl1735227

13. 2-(4-nitrophenoxy)ethylchlorid

14. Dtxsid10377513

15. 1(2-chloroethoxy)-4-nitrobenzene

16. 4-nitrophenyl 2-chloroethyl Ether

17. Act04223

18. Zinc2568340

19. Akos005073503

20. 1-(2-chloroethyloxy)-4-nitro-benzene

21. Am83076

22. Ms-5009

23. Sy031416

24. Db-019470

25. C3523

26. Cs-0035627

27. Ft-0634813

28. A821955

29. J-502977

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 201.61 g/mol
Molecular Formula C8H8ClNO3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass201.0192708 g/mol
Monoisotopic Mass201.0192708 g/mol
Topological Polar Surface Area55 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
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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Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
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