Basic information
- CAS
61767-33-7- Standard SMILES
O=C1OC(c2ccc(Cl)cc2)=NC1=C(Cl)Cl- InChIKey
XSRYCGVYOJPRJL-UHFFFAOYSA-N- Molecular formula
- C10H4Cl3NO2
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 274.930761
Names & identifiers
- Preferred name
- 5(4H)-Oxazolone, 2-(4-chlorophenyl)-4-(dichloromethylene)-
- IUPAC
- 2-(4-chlorophenyl)-4-(dichloromethylidene)-1,3-oxazol-5-one
Names & synonyms
61767-33-75(4H)-Oxazolone, 2-(4-chlorophenyl)-4-(dichloromethylene)-DTXSID90405464RefChem:298049DTXCID003563172-(4-Chlorophenyl)-4-(dichloromethylene)oxazol-5(4H)-one2-(4-Chlorophenyl)-4-(dichloromethylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
61767-33-7- PubChem CID
- 4675752
- DTXSID
DTXSID90405464
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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