Basic information
- CAS
25316-34-1- Standard SMILES
NP(=O)(O)Nc1ccc(Cl)cc1- InChIKey
SHDXPPRABSXREW-UHFFFAOYSA-N- Molecular formula
- C6H8ClN2O2P
- Average molar mass
- 206.57 g/mol
- Monoisotopic mass
- 206.0011922
Names & identifiers
- Preferred name
- n-(4-Chlorophenyl)phosphorodiamidic acid
- IUPAC
- amino-(4-chloroanilino)phosphinic acid
- English name
- N-p-Chlorophenyl-diamidophosphoric acid)
- Molecular formula
- C6H8ClN2O2P
- Molecular weight
- 206.57
Names & synonyms
25316-34-1n-(4-chlorophenyl)phosphorodiamidic acidNSC41143SCHEMBL1504766DTXSID80285232NSC-41143N-p-Chlorophenyl-diamidophosphoric acid)Phosphorodiamidic acid, (4-chlorophenyl)- (9CI)
Database identifiers
- CAS
25316-34-1- PubChem CID
- 237516
- DTXSID
DTXSID80285232
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 379.3 · 379.3±44.0 °C(Predicted)
- Density
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- pka
- -0.22 · -0.22±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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