Basic information
- CAS
2425-19-6- Standard SMILES
CCOP(=S)(CCl)Oc1ccc([N+](=O)[O-])cc1- InChIKey
IDSATHNHWPBOFA-UHFFFAOYSA-N- Molecular formula
- C9H11ClNO4PS
- Average molar mass
- 295.68 g/mol
- Monoisotopic mass
- 294.9834937
Names & identifiers
- Preferred name
- Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl ester
- IUPAC
- chloromethyl-ethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonothioic acid O-ethyl O-(p-nitrophenyl) ester
- Molecular formula
- C9H11ClNO4PS
- Molecular weight
- 295.68
Names & synonyms
2425-19-6Phosphonothioic acid, (chloromethyl)-, O-ethyl O-p-nitrophenyl esterRefChem:1095254Du Pont 691ENT 25,704-XDTXSID90947076O-ethyl O-(4-nitrophenyl) (chloromethyl)phosphonothioateENT-25704XDu Pont-691(Chloromethyl)phosphonothioic acid O-ethyl O-(p-nitrophenyl) esterPhosphonothioic acid, (chloromethyl)-, O-ethyl O-(p-nitrophenyl) ester (7CI,8CI)
Database identifiers
- CAS
2425-19-6- PubChem CID
- 75504
- DTXSID
DTXSID90947076- Nikkaji
- J50.330D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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