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Basic information
- CAS
192509-27-6- Standard SMILES
CCCC#Cc1ccc([N+](=O)[O-])cc1- InChIKey
YCXUIYGMMOGYMQ-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 1-Nitro-4-(pent-1-yn-1-yl)benzene
- IUPAC
- 1-nitro-4-pent-1-ynylbenzene
Names & synonyms
1-Nitro-4-(pent-1-yn-1-yl)benzene192509-27-6DTXSID20732952RefChem:232438DTXCID60683696SCHEMBL140852871-Nitro-4-(1-pentynyl)benzeneYCXUIYGMMOGYMQ-UHFFFAOYSA-N
Database identifiers
- CAS
192509-27-6- PubChem CID
- 59780147
- DTXSID
DTXSID20732952
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
1 records
Compound notes
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