1-(Hex-1-yn-1-yl)-4-nitrobenzene
Basic information
- CAS
229022-43-9- Standard SMILES
CCCCC#Cc1ccc([N+](=O)[O-])cc1- InChIKey
BILXKRUVEDBOQQ-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 1-(Hex-1-yn-1-yl)-4-nitrobenzene
- IUPAC
- 1-hex-1-ynyl-4-nitrobenzene
- English name
- 1-(Hex-1-ynyl)-4-nitrobenzene
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
229022-43-91-(HEX-1-YN-1-YL)-4-NITROBENZENEDTXSID10460479RefChem:226709DTXCID004112981-hex-1-ynyl-4-nitrobenzene1-(HEX-1-YNYL)-4-NITROBENZENE1-(1-hexynyl)-4-nitrobenzeneBenzene, 1-(1-hexyn-1-yl)-4-nitro-
Database identifiers
- CAS
229022-43-9- PubChem CID
- 11264152
- DTXSID
DTXSID10460479- Nikkaji
- J1.116.558C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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