Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate
- CAS NO.：214470-57-2
- Empirical Formula: C12H14ClNO6
- Molecular Weight: 303.7
- MDL number: MFCD09833958
- Update Date: 2026-05-28 05:38:34
What is Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate?
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.
Properties of Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate
| 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 |
Safety information for Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate
Computed Descriptors for Methyl 4-(3-chloropropoxy)-5-Methoxy-2-nitrobenzoate
| InChIKey | UMBVDMOFTQTPPF-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC(OC)=C(OCCCCl)C=C1[N+]([O-])=O |
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