Basic information
- CAS
712344-64-4- Standard SMILES
Cc1ccc(C)c(OCc2ccc([N+](=O)[O-])cc2)c1- InChIKey
ROCVWDHBLSOSKD-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 1,4-Dimethyl-2-[(4-nitrophenyl)methoxy]benzene
- IUPAC
- 1,4-dimethyl-2-[(4-nitrophenyl)methoxy]benzene
Names & synonyms
1,4-dimethyl-2-[(4-nitrophenyl)methoxy]benzene712344-64-41,4-dimethyl-2-[(4-nitrobenzyl)oxy]benzeneDTXSID601247665STK312694AKOS017260166ST45054926
Database identifiers
- CAS
712344-64-4- PubChem CID
- 973672
- DTXSID
DTXSID601247665
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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