5-(Bromomethyl)-4-chloro-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
Basic information
- CAS
88918-40-5- Standard SMILES
O=C(Cl)n1oc(CBr)c(Cl)c1=O- InChIKey
KQDFAAFLSAVJEL-UHFFFAOYSA-N- Molecular formula
- C5H2BrCl2NO3
- Average molar mass
- 274.88 g/mol
- Monoisotopic mass
- 272.85951
Names & identifiers
- Preferred name
- 5-(Bromomethyl)-4-chloro-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
- IUPAC
- 5-(bromomethyl)-4-chloro-3-oxo-1,2-oxazole-2-carbonyl chloride
Names & synonyms
88918-40-5SCHEMBL10895790DTXSID105454375-(Bromomethyl)-4-chloro-3-oxo-1,2-oxazole-2(3H)-carbonyl chloride
Database identifiers
- CAS
88918-40-5- PubChem CID
- 13629429
- DTXSID
DTXSID10545437
Properties
Computed structural properties
- XLogP
- 2.1
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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