Basic information
- CAS
28177-67-5- Standard SMILES
CCc1cccc([N+](=O)[O-])c1O- InChIKey
RSETVJMGQZKFCF-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Ethyl-6-nitrophenol
- IUPAC
- 2-ethyl-6-nitrophenol
Names & synonyms
2-ethyl-6-nitrophenol28177-67-5RefChem:2606356-ethyl-2-nitrophenolSCHEMBL4854222RSETVJMGQZKFCF-UHFFFAOYSA-NDTXSID701314734DB-164380
Database identifiers
- CAS
28177-67-5- PubChem CID
- 15036313
- DTXSID
DTXSID701314734
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
4 records
Compound notes
Loading…