Basic information
- CAS
53995-34-9- Standard SMILES
O=C1COC(c2ccccc2O)=NN1CCCl- InChIKey
CYECAWLYDALKTP-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0458199
Names & identifiers
- Preferred name
- 4-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
- IUPAC
- 4-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one
Names & synonyms
53995-34-94-(2-Chloroethyl)-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-oneNSC296333NSC 296333MLS003115704NSC-296333D8QM44EE85CHEMBL2357756DTXSID40968812SMR0018312754-(2-chloroethyl)-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one4H-1,3,4-Oxadiazin-5(6H)-one, 4-(2-chloroethyl)-2-(2-hydroxyphenyl)-
Show more names
4-(2-chloroethyl)-2-(2-hydroxyphenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one
Database identifiers
- CAS
53995-34-9- PubChem CID
- 326152
- DTXSID
DTXSID40968812- ChEMBL
CHEMBL2357756- UNII
- D8QM44EE85
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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