Basic information
- CAS
34197-26-7- Standard SMILES
COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1- InChIKey
PFPRAVYUXJWMGK-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- Benzene, 1,1'-(2-nitropropylidene)bis(4-methoxy-
- IUPAC
- 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitropropyl]benzene
- English name
- 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitro-propyl]benzene
- Molecular formula
- C17H19NO4
- Molecular weight
- 301.34
Names & synonyms
34197-26-7Benzene, 1,1'-(2-nitropropylidene)bis(4-methoxy-RefChem:1078219BRN 19990841,1'-(2-Nitropropylidene)bis(4-methoxybenzene)DTXSID708749371,1-BIS(P-MEO-PH)-2-NITROPROPANE1,1'-(2-Nitropropane-1,1-diyl)bis(4-methoxybenzene)Benzene, 1,1'-(2-nitropropylidene)bis[4-methoxy-1-methoxy-4-[1-(4-methoxyphenyl)-2-nitro-propyl]benzene
Database identifiers
- CAS
34197-26-7- PubChem CID
- 36715
- DTXSID
DTXSID70874937- Nikkaji
- J851.843B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
LogP3.87
Physicochemical properties
- Melting point
- 102 · 102-102.5 °C
- Boiling point
- 442.47 °C · 442.47°C (rough estimate)
- Density
- 1.1222 · 1.1222 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 7.5 · 7.50±0.19(Predicted)
- Water Solubility
- 8.6 mg/L · 8.6mg/L(room temperature)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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