Basic information
- CAS
1568-66-7- Standard SMILES
C=CCOc1ccc([N+](=O)[O-])cc1- InChIKey
DJOGGVVIZHGION-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Allyl p-nitrophenyl ether
- IUPAC
- 1-nitro-4-prop-2-enoxybenzene
- English name
- 1-(allyloxy)-4-nitrobenzene
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
Allyl p-nitrophenyl ether1568-66-71-(Allyloxy)-4-nitrobenzene1-nitro-4-prop-2-enoxybenzene1-nitro-4-(prop-2-en-1-yloxy)benzeneBenzene, 1-nitro-4-(2-propen-1-yloxy)-1-Nitro-4-(2-propen-1-yloxy)benzeneEther, allyl p-nitrophenylALLYL 4-NITROPHENYL ETHERBenzene, 1-nitro-4-(2-propenyloxy)-SCHEMBL20525571-nitro-4-prop-2-enyloxybenzene
Show more names
DTXSID50277447NSC2375DJOGGVVIZHGION-UHFFFAOYSA-N3-[(4-nitro)phenoxy]-1-propeneNSC 2375NSC-2375AKOS024364662DA-09842
Database identifiers
- CAS
1568-66-7- PubChem CID
- 220100
- DTXSID
DTXSID50277447- Nikkaji
- J257.958H
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 180
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 105 · 105-106 °C(Press: 0.4 Torr)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
7 records
Compound notes
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