3-(Allyloxy)nitrobenzene
Basic information
- CAS
58621-55-9- Standard SMILES
C=CCOc1cccc([N+](=O)[O-])c1- InChIKey
TZFDDOUGIRVHSK-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 3-(Allyloxy)nitrobenzene
- IUPAC
- 1-nitro-3-prop-2-enoxybenzene
Names & synonyms
58621-55-93-(allyloxy)nitrobenzeneNSC 86574NSC865741-allyloxy-3-nitro-benzeneSCHEMBL1099049SCHEMBL11241339SCHEMBL27892992SCHEMBL29639143DTXSID10292954TZFDDOUGIRVHSK-UHFFFAOYSA-NNSC-86574
Show more names
1-Nitro-3-(2-propen-1-yloxy)benzene1-Nitro-3-[(prop-2-en-1-yl)oxy]benzeneDB-162714
Database identifiers
- CAS
58621-55-9- PubChem CID
- 257947
- DTXSID
DTXSID10292954- Nikkaji
- J1.529.202D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
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Related reactions
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Compound notes
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