Basic information
- CAS
618101-80-7- Standard SMILES
O=Cc1cn(-c2ccccc2F)nc1-c1ccc2c(c1)OCCO2- InChIKey
WZTSTXSYLSFEDF-UHFFFAOYSA-N- Molecular formula
- C18H13FN2O3
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.09102044
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-3-(2,3-dihydrobenzo[B][1,4]dioxin-6-YL)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
- English name
- 1-(2-Fluorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C18H13FN2O3
- Molecular weight
- 324.31
Names & synonyms
618101-80-71-(2-FLUOROPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-1H-PYRAZOLE-4-CARBALDEHYDE3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-1H-pyrazole-4-carbaldehyde3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxaldehyde3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)pyrazole-4-carbaldehydeDTXSID101128955AKOS024412193ST51232622SALOR-INT L321311-1EA1H-Pyrazole-4-carboxaldehyde, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-
Database identifiers
- CAS
618101-80-7- PubChem CID
- 3695554
- DTXSID
DTXSID101128955
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Chemistry & industry
Suppliers4 total
Dr. Jagath Reddy's Heterocyclics[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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