CAS 99464-83-2

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Also known as: 99464-83-2, Cyclohexyl 1-chloroethylcarbonate, Carbonic acid 1-chloroethyl cyclohexyl ester, 1-chloroethylcyclohexylcarbonate, Carbonic acid, 1-chloroethyl cyclohexyl ester, 1-chloroethylcyclohexyl carbonate

Molecular Formula

C₉H₁₅ClO₃

Molecular Weight

206.66 g/mol

InChI Key

ONZWFHWHTYZZLM-UHFFFAOYSA-N

1 2D Structure

CAS 99464-83-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloroethyl cyclohexyl carbonate

2.1.2 InChI

InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

2.1.3 InChI Key

ONZWFHWHTYZZLM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(OC(=O)OC1CCCCC1)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99464-83-2

2. Cyclohexyl 1-chloroethylcarbonate

3. Carbonic Acid 1-chloroethyl Cyclohexyl Ester

4. 1-chloroethylcyclohexylcarbonate

5. Carbonic Acid, 1-chloroethyl Cyclohexyl Ester

6. 1-chloroethylcyclohexyl Carbonate

7. N-boc-2-benzylpiperazine

8. Ec 444-950-8

9. Schembl654885

10. Cyclohexyl 1-chlorethyl Carbonate

11. Onzwfhwhtyzzlm-uhfffaoysa-

12. 1-chloroethyl Cyclohexyloxyformate

13. Dtxsid50459428

14. Cyclohexyl 1-chloroethyl Carbonate

15. Chloro-1-ethylcyclohexyl Carbonate

16. Bcp12276

17. Mfcd04038149

18. Alpha-chloroethyl Cyclohexyl Carbonate

19. Akos015840877

20. Ab17043

21. Cs-w015297

22. S10074

23. As-12824

24. 1-cyclohexyloxycarbonyloxy-1-ethyl Chloride

25. Db-057786

26. C1786

27. Ft-0642398

28. 1-{[(cyclohexyloxy)carbonyl]-oxy}-1-chloroethane

29. A922731

30. Carbonic Acid Cyclohexyl Ester 1-chloro-ethyl Ester

31. J-504528

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅ClO₃
Molecular Weight	206.66 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.0709720 g/mol
Monoisotopic Mass	206.0709720 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1