5-Ethylisoxazole-3-carbonyl chloride
Basic information
- CAS
52320-58-8- Standard SMILES
CCc1cc(C(=O)Cl)no1- InChIKey
WDGWKCWPCNKPKD-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2
- Average molar mass
- 159.57 g/mol
- Monoisotopic mass
- 159.0087061
Names & identifiers
- Preferred name
- 5-Ethylisoxazole-3-carbonyl chloride
- IUPAC
- 5-ethyl-1,2-oxazole-3-carbonyl chloride
- English name
- 3-Isoxazolecarbonyl chloride, 5-ethyl- (9CI)
- Molecular formula
- C6H6ClNO2
- Molecular weight
- 159.57
Names & synonyms
5-ethylisoxazole-3-carbonyl chloride52320-58-85-ethyl-1,2-oxazole-3-carbonyl chloride3-ISOXAZOLECARBONYL CHLORIDE, 5-ETHYL-MFCD12028420DTXSID40602148SCHEMBL2373540WDGWKCWPCNKPKD-UHFFFAOYSA-N5-ethylisoxazole-3-carbonylchlorideALBB-0100365-ethyl-isoxazole-3-carbonyl chlorideAKOS005172450
Show more names
5-ethyl-3-isoxazolecarbonyl chloride3-Isoxazolecarbonyl chloride, 5-ethyl- (9CI)
LS-03420DB-107616H25495
Database identifiers
- CAS
52320-58-8- PubChem CID
- 20072741
- DTXSID
DTXSID40602148
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
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Related reactions
1 records
Compound notes
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