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CAS 89281-73-2

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CHEMISTRY

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Chemistry

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Also known as: 89281-73-2, 1,3-dichloro-2-(acetoxymethoxy)propane, 1,3-dichloropropan-2-yloxymethyl acetate, 1,3-dichloro-2-(acetoxyme thoxy)propane, [(1,3-dichloropropan-2-yl)oxy]methyl acetate, ((1-3 dichlopropan-2-yl)oxy)methyl acetate

Molecular Formula

C₆H₁₀Cl₂O₃

Molecular Weight

201.04 g/mol

InChI Key

HCPWSZPHLYSAAF-UHFFFAOYSA-N

CAS 89281-73-2

1 2D Structure

CAS 89281-73-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dichloropropan-2-yloxymethyl acetate

2.1.2 InChI

InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3

2.1.3 InChI Key

HCPWSZPHLYSAAF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCOC(CCl)CCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 89281-73-2

2. 1,3-dichloro-2-(acetoxymethoxy)propane

3. 1,3-dichloropropan-2-yloxymethyl Acetate

4. 1,3-dichloro-2-(acetoxyme Thoxy)propane

5. [(1,3-dichloropropan-2-yl)oxy]methyl Acetate

6. ((1-3 Dichlopropan-2-yl)oxy)methyl Acetate

7. Ec 618-260-4

8. Dtxsid00668245

9. Mfcd12405599

10. Akos015896062

11. Zinc100043041

12. Ac-23927

13. Bs-17879

14. Cs-0186023

15. Ft-0653431

16. ((1,3-dichloropropan-2-yl)oxy)methylacetate

17. [(1,3-dichloro-2-propanyl)oxy]methyl Acetate

18. D82493

19. 281d732

20. A843109

2.3 Create Date

2010-04-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀Cl₂O₃
Molecular Weight	201.04 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	200.0006996 g/mol
Monoisotopic Mass	200.0006996 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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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