Basic information
- CAS
88181-18-4- Standard SMILES
O=c1ccc2cc3ccoc3c(OP(=O)(Cl)N(CCCl)CCCl)c2o1- InChIKey
DRDKAUSJBREKBZ-UHFFFAOYSA-N- Molecular formula
- C15H13Cl3NO5P
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 422.959693
Names & identifiers
- Preferred name
- 9-[Bis(2-chloroethyl)amino-chlorophosphoryl]oxyfuro[3,2-g]chromen-7-one
- IUPAC
- 9-[bis(2-chloroethyl)amino-chlorophosphoryl]oxyfuro[3,2-g]chromen-7-one
Names & synonyms
88181-18-4NSC3450809-[bis(2-chloroethyl)amino-chlorophosphoryl]oxyfuro[3,2-g]chromen-7-oneCHEMBL128142DTXSID30319399NSC-345080Phosphoramidochloridic acid, 7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl ester7-Oxo-7H-furo[3,2-g][1]benzopyran-9-yl N,N-bis(2-chloroethyl)phosphoramidochloridate
Database identifiers
- CAS
88181-18-4- PubChem CID
- 335449
- DTXSID
DTXSID30319399- ChEMBL
CHEMBL128142
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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