[4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
Basic information
- CAS
338960-80-8- Standard SMILES
O=C(OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1- InChIKey
UZSSJPABYVPNRR-UHFFFAOYSA-N- Molecular formula
- C20H13ClN2O7
- Average molar mass
- 428.8 g/mol
- Monoisotopic mass
- 428.0411285
Names & identifiers
- Preferred name
- [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
- IUPAC
- [4-(4-chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
- English name
- 4-(4-CHLOROPHENOXY)-3-NITROBENZYL 4-NITROBENZENECARBOXYLATE
- Molecular formula
- C20H13ClN2O7
- Molecular weight
- 428.78
Names & synonyms
[4-(4-chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate338960-80-8Oprea1_8722474-(4-chlorophenoxy)-3-nitrobenzyl 4-nitrobenzenecarboxylateDTXSID301153578AKOS0050954695L-520S[4-(4-chlorophenoxy)-3-nitrophenyl]methyl4-nitrobenzoateBenzenemethanol, 4-(4-chlorophenoxy)-3-nitro-, 4-nitrobenzoate (ester)Benzenemethanol, 4-(4-chlorophenoxy)-3-nitro-, 4-nitrobenzoate (ester) (9CI)
Database identifiers
- CAS
338960-80-8- PubChem CID
- 5111061
- DTXSID
DTXSID301153578
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 592.4 · 592.4±50.0 °C(Predicted)
- Density
- 1.457 · 1.457±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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