4H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-chlorophenyl)-
Basic information
- CAS
26718-32-1- Standard SMILES
Clc1ccc(C2=NOC3c4ccccc4CC23)cc1- InChIKey
NWBORYWRJABNHX-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0607417
Names & identifiers
- Preferred name
- 4H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-chlorophenyl)-
- IUPAC
- 3-(4-chlorophenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
Names & synonyms
BRN 09192703a,8b-Dihydro-3-(p-chlorophenyl)-4H-indeno(2,1-d)isoxazole26718-32-14H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-(p-chlorophenyl)-RefChem:2975943-(4-chlorophenyl)-4,8b-dihydro-3ah-indeno[2,1-d][1,2]oxazoleDTXSID10949532
Database identifiers
- CAS
26718-32-1- PubChem CID
- 213550
- DTXSID
DTXSID10949532
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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