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Chemistry

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Also known as: 1-chloro-4-phenylbutane, 4-phenylbutyl chloride, Benzene, (4-chlorobutyl)-, Einecs 225-408-8, 4-phenyl-n-butyl chloride, Dtxsid20197486

Molecular Formula

C₁₀H₁₃Cl

Molecular Weight

168.66 g/mol

InChI Key

FLLZCZIHURYEQP-UHFFFAOYSA-N

FDA UNII

3S6FMP9C4G

1 2D Structure

4830-93-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chlorobutylbenzene

2.1.2 InChI

InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

2.1.3 InChI Key

FLLZCZIHURYEQP-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

3S6FMP9C4G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1-chloro-4-phenylbutane

2. 4-phenylbutyl Chloride

3. Benzene, (4-chlorobutyl)-

4. Einecs 225-408-8

5. 4-phenyl-n-butyl Chloride

6. Dtxsid20197486

7. Refchem:69470

8. Dtxcid30119977

9. 225-408-8

10. Fllzczihuryeqp-uhfffaoysa-n

11. 4830-93-7

12. 4-chlorobutylbenzene

13. Mfcd00037117

14. Phenylbutylchloride

15. 1-chloro4-phenylbutane

16. 4-phenyl-1-chlorobutane

17. 3s6fmp9c4g

18. Schembl1271432

19. Schembl4630032

20. Schembl4630035

21. Schembl4897344

22. Schembl5438140

23. Schembl7367065

24. 1-chloro-4-phenylbutane, 97%

25. (3-chloropropyl-1-methyl)benzene

26. Akos009159224

27. As-57960

28. Da-05533

29. Sy048370

30. Cs-0128930

31. Ns00031785

32. P1389

33. St50827153

34. D92122

35. F620449

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃Cl
Molecular Weight	168.66 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	0
Heavy Atom Count	11
Formal Charge	0
Complexity	84.9
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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