4-Chlorophenyl 1H-imidazol-1-ylphosphonate
Basic information
- CAS
64108-80-1- Standard SMILES
O=P([O-])(Oc1ccc(Cl)cc1)n1ccnc1- InChIKey
ZJOHFDXXOOGMNQ-UHFFFAOYSA-M- Molecular formula
- C9H7ClN2O3P-
- Average molar mass
- 257.59 g/mol
- Monoisotopic mass
- 256.9882818
Names & identifiers
- Preferred name
- 4-Chlorophenyl 1H-imidazol-1-ylphosphonate
- IUPAC
- (4-chlorophenoxy)-imidazol-1-ylphosphinate
Names & synonyms
64108-80-14-Chlorophenyl 1H-imidazol-1-ylphosphonateDTXSID10794903
Database identifiers
- CAS
64108-80-1- PubChem CID
- 71372001
- DTXSID
DTXSID10794903
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 276
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Compound notes
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