5-(Chloromethyl)-4-iodo-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
Basic information
- CAS
88918-39-2- Standard SMILES
O=C(Cl)n1oc(CCl)c(I)c1=O- InChIKey
OEQZNIWGJPIUGJ-UHFFFAOYSA-N- Molecular formula
- C5H2Cl2INO3
- Average molar mass
- 321.88 g/mol
- Monoisotopic mass
- 320.84565
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-4-iodo-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
- IUPAC
- 5-(chloromethyl)-4-iodo-3-oxo-1,2-oxazole-2-carbonyl chloride
Names & synonyms
88918-39-2SCHEMBL10894483DTXSID505454365-(Chloromethyl)-4-iodo-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
Database identifiers
- CAS
88918-39-2- PubChem CID
- 13629428
- DTXSID
DTXSID50545436
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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