Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate Chemical Properties

Melting point:

54-56 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))

Boiling point:

457.3±40.0 °C(Predicted)

Density 

1.311±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

InChI

InChI=1S/C12H14ClNO6/c1-18-10-6-8(12(15)19-2)9(14(16)17)7-11(10)20-5-3-4-13/h6-7H,3-5H2,1-2H3

InChIKey

UMBVDMOFTQTPPF-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(OC)=C(OCCCCl)C=C1[N+]([O-])=O

Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate Usage And Synthesis

structure and hydrogen bonding

The compound Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate, C12H14ClNO6, contains two crystallographically independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 9.12?(3)°. Weak inter-molecular C—H?O hydrogen bonds in the crystal structure link the mol-ecules into a three-dimensional network.

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