1-(But-2-en-2-yl)-2-nitrobenzene
Basic information
- CAS
60249-96-9- Standard SMILES
CC=C(C)c1ccccc1[N+](=O)[O-]- InChIKey
GRRALLGDUKCJIK-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1-(But-2-en-2-yl)-2-nitrobenzene
- IUPAC
- 1-but-2-en-2-yl-2-nitrobenzene
Names & synonyms
60249-96-91-(But-2-en-2-yl)-2-nitrobenzeneDTXSID10822250RefChem:226255DTXCID00772992
Database identifiers
- CAS
60249-96-9- PubChem CID
- 71401014
- DTXSID
DTXSID10822250
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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