Basic information
- CAS
4081-32-7- Standard SMILES
CCOP(=S)(CCl)Oc1ccc(C#N)cc1OC- InChIKey
KVPDTNOBCPYEMW-UHFFFAOYSA-N- Molecular formula
- C11H13ClNO3PS
- Average molar mass
- 305.72 g/mol
- Monoisotopic mass
- 305.0042291
Names & identifiers
- Preferred name
- Ent 27227
- IUPAC
- 4-[chloromethyl(ethoxy)phosphinothioyl]oxy-3-methoxybenzonitrile
- English name
- (Chloromethyl)phosphonothioic acid O-(4-cyano-2-methoxyphenyl)O-ethyl ester
- Molecular weight
- 0
Names & synonyms
4081-32-7ENT 27227RefChem:1084104Stauffer B-11110O-(4-Cyano-2-methoxyphenyl) O-ethyl(chloromethyl)phosphonothioateENT 27,227BRN 3063169B-11110Phosphonothioic acid, (chloromethyl)-, O-ethyl ester, O-ester with 4-hydroxy-m-anisonitrileSCHEMBL31498328DTXSID80961226O-(4-cyano-2-methoxyphenyl) O-ethyl (chloromethyl)phosphonothioate
Show more names
(Chloromethyl)phosphonothioic acid O-(4-cyano-2-methoxyphenyl)O-ethyl ester
Database identifiers
- CAS
4081-32-7- PubChem CID
- 77700
- DTXSID
DTXSID80961226- Nikkaji
- J34.667E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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