Basic information
- Standard SMILES
C=Cc1ccc(OCP(=O)(OCC)OCC)c(N)c1- InChIKey
XYBLLUNEVAGWRC-UHFFFAOYSA-N- Molecular formula
- C13H20NO4P
- Average molar mass
- 285.28 g/mol
- Monoisotopic mass
- 285.11299512
Names & identifiers
- Preferred name
- 2-Diethylphosphonomethyloxy-5-vinylaniline
- IUPAC
- 2-(diethoxyphosphorylmethoxy)-5-ethenylaniline
Names & synonyms
SCHEMBL4189369XYBLLUNEVAGWRC-UHFFFAOYSA-N2-diethylphosphonomethyloxy-5-vinylaniline
Database identifiers
- PubChem CID
- 57438261
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
2 records
Compound notes
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