Basic information
- CAS
77580-70-2- Standard SMILES
O=C1CN=C(c2ccc(Cl)cc2)OC1- InChIKey
GVXQHFJVKMUPAL-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- 4H-1,3-Oxazin-5(6H)-one, 2-(4-chlorophenyl)-
- IUPAC
- 2-(4-chlorophenyl)-4H-1,3-oxazin-5-one
Names & synonyms
77580-70-24H-1,3-Oxazin-5(6H)-one, 2-(4-chlorophenyl)-DTXSID30343098RefChem:297058DTXCID902941782-(4-Chlorophenyl)-4H-1,3-oxazin-5(6H)-one2-(4-Chlorophenyl)-5,6-dihydro-4H-1,3-oxazin-5-oneGVXQHFJVKMUPAL-UHFFFAOYSA-N2-(4-Chlorophenyl)-4H-1,3-oxazin-5(6H)-one #
Database identifiers
- CAS
77580-70-2- PubChem CID
- 587442
- DTXSID
DTXSID30343098- Nikkaji
- J610.229H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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