Basic information
- CAS
165896-79-7- Standard SMILES
O=[N+]([O-])C(Br)=CP(=O)(OCCCl)OCCCl- InChIKey
APNOLERCCQWGGJ-UHFFFAOYSA-N- Molecular formula
- C6H9BrCl2NO5P
- Average molar mass
- 356.92 g/mol
- Monoisotopic mass
- 354.87788
Names & identifiers
- Preferred name
- Phosphonic acid, (2-bromo-2-nitroethenyl)-, bis(2-chloroethyl) ester
- IUPAC
- 2-[bis(2-chloroethoxy)phosphoryl]-1-bromo-1-nitroethene
Names & synonyms
165896-79-7DTXSID90395098Phosphonic acid, (2-bromo-2-nitroethenyl)-, bis(2-chloroethyl) esterRefChem:370438DTXCID90345957bis(2-chloroethyl) 2-bromo-2-nitroethenylphosphonateBis(2-chloroethyl) (2-bromo-2-nitroethen-1-yl)phosphonate
Database identifiers
- CAS
165896-79-7- PubChem CID
- 3690729
- DTXSID
DTXSID90395098
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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