CAS 17913-18-7

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Also known as: 17913-18-7, 4-chlorobutyl methyl ether, Butane, 1-chloro-4-methoxy-, Ether, 4-chlorobutyl methyl, 1-chloro-4-methoxy-butane, Mfcd00209961

Molecular Formula

C₅H₁₁ClO

Molecular Weight

122.59 g/mol

InChI Key

DFLRARJQZRCCKN-UHFFFAOYSA-N

1 2D Structure

CAS 17913-18-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloro-4-methoxybutane

2.1.2 InChI

InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3

2.1.3 InChI Key

DFLRARJQZRCCKN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCCCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17913-18-7

2. 4-chlorobutyl Methyl Ether

3. Butane, 1-chloro-4-methoxy-

4. Ether, 4-chlorobutyl Methyl

5. 1-chloro-4-methoxy-butane

6. Mfcd00209961

7. 1-chloro-4-methoxy Butane

8. Nsc83550

9. Einecs 241-858-8

10. Nsc 83550

11. 4-methoxybutyl Chlo-ride

12. Schembl56354

13. 1-chloro-4-(methyloxy)butane

14. Dtxsid60170773

15. Bcp14187

16. Zinc1730997

17. Nsc-83550

18. Akos011019877

19. As-17934

20. Sy015495

21. Db-019125

22. Ft-0657844

23. En300-77107

24. A812433

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁ClO
Molecular Weight	122.59 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	122.0498427 g/mol
Monoisotopic Mass	122.0498427 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	31.3
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