Chloropropylate

5836-10-2

CAS Name

Chloropropylate

Molecular Formula

C₁₇H₁₆Cl₂O₃

Molecular Mass

339.21

Compound Properties

• Boiling Point (1)

  148-150 °C @ Press: 0.5 Torr

• Melting Point (1)

  73 °C

• Density (1)

  1.36 g/cm³ @ Temp: 20 °C

Source(s)

• (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3

InChIKey

InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N

SMILES

C(C(OC(C)C)=O)(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OC(C)C)C(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

Other Names for this Substance