CAS 5006-22-4

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Also known as: 5006-22-4, Cyclobutanecarboxylic acid chloride, Cyclobutanecarbonylchloride, Cyclobutylcarbonyl chloride, Cyclobutylcarboxylic acid chloride, Cyclobutane-1-carbonyl chloride

Molecular Formula

C₅H₇ClO

Molecular Weight

118.56 g/mol

InChI Key

JFWMYCVMQSLLOO-UHFFFAOYSA-N

1 2D Structure

CAS 5006-22-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclobutanecarbonyl chloride

2.1.2 InChI

InChI=1S/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2

2.1.3 InChI Key

JFWMYCVMQSLLOO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C1)C(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5006-22-4

2. Cyclobutanecarboxylic Acid Chloride

3. Cyclobutanecarbonylchloride

4. Cyclobutylcarbonyl Chloride

5. Cyclobutylcarboxylic Acid Chloride

6. Cyclobutane-1-carbonyl Chloride

7. Einecs 225-680-8

8. Cyclobutanoyl Chloride

9. Cyclobutylcarbonylchloride

10. Cyclobutancarbonyl Chloride

11. Cyclobutyl Carbonylchloride

12. Cyclobutyl Carbonyl Chloride

13. Cyclobutane Carbonyl Chloride

14. Cyclobutane-carbonyl Chloride

15. Cyclobutane Carboxyl Chloride

16. Cyclobutanecarboxylic Chloride

17. Schembl126540

18. Dtxsid40198197

19. Cyclobutanecarbonyl Chloride, 98%

20. Cyclobutyl Carboxylic Acid Chloride

21. Albb-032816

22. Cyclobutane Carboxylic Acid Chloride

23. Cyclobutanecarboxylic Acid, Chloride

24. Nsc93778

25. Str05510

26. Zinc1609476

27. Mfcd00001319

28. Nsc 93778

29. Nsc-93778

30. Akos009156527

31. Bp-20175

32. Db-013331

33. Ft-0624148

34. D87747

35. W-105991

36. F2190-0158

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₇ClO
Molecular Weight	118.56 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	118.0185425 g/mol
Monoisotopic Mass	118.0185425 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	86.1
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