Basic information
- CAS
25076-51-1- Standard SMILES
COc1ccccc1OP(=O)(Oc1ccccc1)N(CCCl)CCCl- InChIKey
DPOZMHHDYWIREP-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2NO4P
- Average molar mass
- 404.2 g/mol
- Monoisotopic mass
- 403.0507005
Names & identifiers
- Preferred name
- 2-Methoxyphenyl phenyl N,N-bis(2-chloroethyl)phosphoramidate
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(2-methoxyphenoxy)-phenoxyphosphoryl]ethanamine
Names & synonyms
25076-51-1DTXSID509479362-Methoxyphenyl phenyl N,N-bis(2-chloroethyl)phosphoramidateRefChem:1063606DTXCID701376186N,N-Bis(2-chloroethyl)phosphoramidic acid o-methoxyphenyl phenyl esterBRN 2547429F-57Phosphoramidic acid, N,N-bis(2-chloroethyl)-, o-methoxyphenyl phenyl ester
Database identifiers
- CAS
25076-51-1- PubChem CID
- 212835
- DTXSID
DTXSID50947936
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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