[4-[3-(3-Chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate
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Basic information
- CAS
298216-10-1- Standard SMILES
O=C(C=Cc1cccc(Cl)c1)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1- InChIKey
JBRIHHBXRSZNKM-UHFFFAOYSA-N- Molecular formula
- C22H14ClNO5
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.0560502
Names & identifiers
- Preferred name
- [4-[3-(3-Chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate
- IUPAC
- [4-[3-(3-chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate
- English name
- 4-[3-(3-CHLOROPHENYL)ACRYLOYL]PHENYL 3-NITROBENZENECARBOXYLATE
- Molecular formula
- C22H14ClNO5
- Molecular weight
- 407.8
Names & synonyms
4-[(2E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl 3-nitrobenzoate4-[3-(3-CHLOROPHENYL)ACRYLOYL]PHENYL 3-NITROBENZENECARBOXYLATE2-Propen-1-one, 3-(3-chlorophenyl)-1-[4-[(3-nitrobenzoyl)oxy]phenyl]-
Database identifiers
- CAS
298216-10-1- PubChem CID
- 3621403
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Boiling point
- 601.8 · 601.8±55.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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