8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
Basic information
- CAS
42449-39-8- Standard SMILES
CC1(C)COC2(c3ccccc3)N1C(=C(Cl)Cl)OC(=O)C2(Cl)Cl- InChIKey
FCJLGGHOXKWZGJ-UHFFFAOYSA-N- Molecular formula
- C15H13Cl4NO3
- Average molar mass
- 397.1 g/mol
- Monoisotopic mass
- 394.964954
Names & identifiers
- Preferred name
- 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
- IUPAC
- 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
Names & synonyms
42449-39-8NSC1638848,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-oneDTXSID20304012NSC-1638848,8-Dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyltetrahydro-5H,7H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
Database identifiers
- CAS
42449-39-8- PubChem CID
- 294835
- DTXSID
DTXSID20304012
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…