Basic information
- CAS
92111-04-1- Standard SMILES
O=P(NCCCO)(Oc1ccccc1)N(CCCl)CCCl- InChIKey
BWFAPIMLXMGDHC-UHFFFAOYSA-N- Molecular formula
- C13H21Cl2N2O3P
- Average molar mass
- 355.19 g/mol
- Monoisotopic mass
- 354.0666849
Names & identifiers
- Preferred name
- 3-[[Bis(2-chloroethyl)amino-phenoxyphosphoryl]amino]propan-1-ol
- IUPAC
- 3-[[bis(2-chloroethyl)amino-phenoxyphosphoryl]amino]propan-1-ol
Names & synonyms
NSC52697NSC-5269792111-04-1
Database identifiers
- CAS
92111-04-1- PubChem CID
- 243286
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…