5-Chloro-3-(4-nitrophenyl)-1,2-oxazole-4-carbaldehyde
Basic information
- CAS
108471-52-9- Standard SMILES
O=Cc1c(-c2ccc([N+](=O)[O-])cc2)noc1Cl- InChIKey
OEXVLZNBPAVYII-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2O4
- Average molar mass
- 252.61 g/mol
- Monoisotopic mass
- 251.9937843
Names & identifiers
- Preferred name
- 5-Chloro-3-(4-nitrophenyl)-1,2-oxazole-4-carbaldehyde
- IUPAC
- 5-chloro-3-(4-nitrophenyl)-1,2-oxazole-4-carbaldehyde
- English name
- 5-CHLORO-3-(4-NITROPHENYL)-4-ISOXAZOLECARBOXALDEHYDE
- Molecular formula
- C10H5ClN2O4
- Molecular weight
- 0
Names & synonyms
108471-52-95-chloro-3-(4-nitrophenyl)-1,2-oxazole-4-carbaldehyde5-CHLORO-3-(4-NITROPHENYL)-4-ISOXAZOLECARBOXALDEHYDE
Database identifiers
- CAS
108471-52-9- PubChem CID
- 13809596
- Nikkaji
- J3.080.441D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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