(3-ethyl-1H-benzimidazol-3-ium-2-yl)-phenylphosphinate
Basic information
- CAS
172753-92-3- Standard SMILES
CC[n+]1c(P(=O)([O-])c2ccccc2)[nH]c2ccccc21- InChIKey
FLAKOFDOODNDHM-UHFFFAOYSA-N- Molecular formula
- C15H15N2O2P
- Average molar mass
- 286.26 g/mol
- Monoisotopic mass
- 286.08711472
Overview
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Names & identifiers
- Preferred name
- (3-ethyl-1H-benzimidazol-3-ium-2-yl)-phenylphosphinate
- IUPAC
- (3-ethyl-1H-benzimidazol-3-ium-2-yl)-phenylphosphinate
Names & synonyms
SMR000155685MLS000536800HMS2378O14AB00458306-04
Database identifiers
- CAS
172753-92-3- PubChem CID
- 3964413
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
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Compound notes
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