Basic information
- CAS
85078-27-9- Standard SMILES
COc1ccc(C(C[N+](=O)[O-])c2ccc(OC)cc2)cc1- InChIKey
QDIWFABZGBNPAO-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-
- IUPAC
- 1-methoxy-4-[1-(4-methoxyphenyl)-2-nitroethyl]benzene
Names & synonyms
85078-27-9Benzene, 1,1'-(2-nitroethylidene)bis(4-methoxy-1,1'-(2-nitroethane-1,1-diyl)bis(4-methoxybenzene)DTXSID10234157
Database identifiers
- CAS
85078-27-9- PubChem CID
- 94690
- DTXSID
DTXSID10234157- Nikkaji
- J1.589.308G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
LogP3.57
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…