Basic information
- CAS
6544-30-5- Standard SMILES
CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)P2(=Nc1ccccc1Cl)N(CC)CC- InChIKey
WQJLBSPMUUKRBG-UHFFFAOYSA-N- Molecular formula
- C27H30Cl3N4O2P
- Average molar mass
- 579.9 g/mol
- Monoisotopic mass
- 578.117196
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1lambda5-benzoxazaphosphinin-3-one
- IUPAC
- 1-(2-chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1λ5-benzoxazaphosphinin-3-one
Names & synonyms
6544-30-51-(2-Chlorophenyl)imino-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-4,2,1lambda5-benzoxazaphosphinin-3-oneDTXSID60409999AKOS008025600Z56783174T0503-19061-[(2-Chlorophenyl)imino]-2-(3,4-dichlorophenyl)-1,6-bis(diethylamino)-1,2-dihydro-3H-4,2,1lambda~5~-benzoxazaphosphinin-3-one
Database identifiers
- CAS
6544-30-5- PubChem CID
- 5207779
- DTXSID
DTXSID60409999
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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