Basic information
- CAS
17671-69-1- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(OCC(Cl)CCl)OCC(Cl)CCl)cc1- InChIKey
LZDNNILVAOSABM-UHFFFAOYSA-N- Molecular formula
- C12H14Cl4NO6P
- Average molar mass
- 441 g/mol
- Monoisotopic mass
- 438.931285
Names & identifiers
- Preferred name
- Phosphoric acid, bis(2,3-dichloropropyl) p-nitrophenyl ester
- IUPAC
- bis(2,3-dichloropropyl) (4-nitrophenyl) phosphate
Names & synonyms
17671-69-1Phosphoric acid, bis(2,3-dichloropropyl) p-nitrophenyl esterRefChem:1095383Bis(2,3-dichloropropyl) p-nitrophenyl phosphatebis(2,3-dichloropropyl) 4-nitrophenyl phosphateDTXSID10938840
Database identifiers
- CAS
17671-69-1- PubChem CID
- 86604
- DTXSID
DTXSID10938840- Nikkaji
- J50.346K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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