Phosphonic diamide, N,N'-bis(4-chloro-2-pyrimidinyl)-P-phenyl
Basic information
- CAS
6948-50-1- Standard SMILES
O=P(Nc1nccc(Cl)n1)(Nc1nccc(Cl)n1)c1ccccc1- InChIKey
MDLWLWFSWSEWGB-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2N6OP
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.0109014
Names & identifiers
- Preferred name
- Phosphonic diamide, N,N'-bis(4-chloro-2-pyrimidinyl)-P-phenyl
- IUPAC
- 4-chloro-N-[[(4-chloropyrimidin-2-yl)amino]-phenylphosphoryl]pyrimidin-2-amine
Names & synonyms
6948-50-1Phosphonic diamide, N,N'-bis(4-chloro-2-pyrimidinyl)-P-phenylNSC55779NSC 55779NCIOpen2_007364DTXSID50219701NSC-55779N,N'-Bis(4-chloropyrimidin-2-yl)-P-phenylphosphonic diamide4-chloro-N-[[(4-chloropyrimidin-2-yl)amino]-phenyl-phosphoryl]pyrimidin-2-amine
Database identifiers
- CAS
6948-50-1- PubChem CID
- 414153
- DTXSID
DTXSID50219701
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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