Basic information
- CAS
17963-68-7- Standard SMILES
CCOP(=S)(Oc1ccc(C#N)cc1)c1ccc(Cl)cc1- InChIKey
GCUAAPLYOJTVGX-UHFFFAOYSA-N- Molecular formula
- C15H13ClNO2PS
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.0093145
Names & identifiers
- Preferred name
- Phosphonothioic acid, (p-chlorophenyl)-, O-ethyl ester, O-ester with p-hydroxybenzonitrile
- IUPAC
- 4-[(4-chlorophenyl)-ethoxyphosphinothioyl]oxybenzonitrile
Names & synonyms
17963-68-7Phosphonothioic acid, (p-chlorophenyl)-, O-ethyl ester, O-ester with p-hydroxybenzonitrileRefChem:1095255BRN 2949133(p-Chlorophenyl)phosphonothioic acid O-ethyl ester O-ester with p-hydroxybenzonitrileDTXSID60939246O-(4-cyanophenyl) O-ethyl (4-chlorophenyl)phosphonothioate
Database identifiers
- CAS
17963-68-7- PubChem CID
- 205446
- DTXSID
DTXSID60939246
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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