CAS 3383-72-0

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CHEMISTRY

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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 Formula	C₈H₈ClNO₃
Molecular Weight	201.61 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	201.0192708 g/mol
Monoisotopic Mass	201.0192708 g/mol
Topological Polar Surface Area	55 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	163
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