CAS 18995-35-2

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Also known as: 18995-35-2, 1-tert-butoxy-4-chlorobenzene, 1-chloro-4-tert-butoxybenzene, 1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene, 4-chloro-1-tert-butoxybenzene, Benzene, 1-chloro-4-(1,1-dimethylethoxy)-

Molecular Formula

C₁₀H₁₃ClO

Molecular Weight

184.66 g/mol

InChI Key

NEJWTQIEQDHWTR-UHFFFAOYSA-N

1 2D Structure

CAS 18995-35-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene

2.1.2 InChI

InChI=1S/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

2.1.3 InChI Key

NEJWTQIEQDHWTR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC1=CC=C(C=C1)Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1-tert-butoxy-4-chlorobenzene

2.2.2 Depositor-Supplied Synonyms

1. 18995-35-2

2. 1-tert-butoxy-4-chlorobenzene

3. 1-chloro-4-tert-butoxybenzene

4. 1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene

5. 4-chloro-1-tert-butoxybenzene

6. Benzene, 1-chloro-4-(1,1-dimethylethoxy)-

7. P-t-buthoxychlorobenzene

8. 2-(4-chloro Phenoxy)tert Butane

9. 4-t-butoxychlorobenzene

10. 4-t-butoxy Chlorobenzene

11. 4-tert-butoxychlorobenzene

12. 4-tert-butoxyphenyl Chloride

13. Schembl196705

14. Tert-butyl 4-chlorophenyl Ether

15. Dtxsid20172430

16. Act03053

17. Zinc2525320

18. Mfcd04038411

19. 2-(4-chlorophenoxy)tertbutane

20. Akos006343951

21. Ac-19744

22. As-40427

23. Db-065705

24. Ft-0687301

25. A846407

26. J-505125

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃ClO
Molecular Weight	184.66 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	184.0654927 g/mol
Monoisotopic Mass	184.0654927 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	131
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

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