Basic information
- CAS
603067-52-3- Standard SMILES
Cc1ccc(-c2noc3c2CCN3)cc1- InChIKey
QRWYHVHXYVASHM-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 3-(p-Tolyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
- IUPAC
- 3-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
- English name
- 4H-Pyrrolo[3,2-d]isoxazole,5,6-dihydro-3-(4-methylphenyl)-(9CI)
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
603067-52-33-(p-Tolyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazoleDB-2837044H-PYRROLO[3,2-D]ISOXAZOLE, 5,6-DIHYDRO-3-(4-METHYLPHENYL)-4H-Pyrrolo[3,2-d]isoxazole,5,6-dihydro-3-(4-methylphenyl)-(9CI)
Database identifiers
- CAS
603067-52-3- PubChem CID
- 4620822
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…