Basic information
- CAS
62056-52-4- Standard SMILES
ClC1=NOC(c2ccccc2)C1- InChIKey
RQKHDLVXQFONPI-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO
- Average molar mass
- 181.62 g/mol
- Monoisotopic mass
- 181.0294416
Names & identifiers
- Preferred name
- Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
- IUPAC
- 3-chloro-5-phenyl-4,5-dihydro-1,2-oxazole
Names & synonyms
62056-52-4Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-DTXSID60320276RefChem:350214DTXCID002713993-chloro-5-phenyl-4,5-dihydroisoxazole3-chloro-5-phenyl-4,5-dihydro-1,2-oxazoleNSC3570365-phenyl-3-chloroisoxazolineSCHEMBL1269209CHEMBL3329255RQKHDLVXQFONPI-UHFFFAOYSA-N
Show more names
NSC-3570363-chloro-5-phenyl-4,5-dihydro-isoxazole
Database identifiers
- CAS
62056-52-4- PubChem CID
- 337795
- DTXSID
DTXSID60320276- ChEMBL
CHEMBL3329255- Nikkaji
- J2.748.398D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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