Basic information
- CAS
5785-22-8- Standard SMILES
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2- InChIKey
PCAVABCLYBQWCR-UHFFFAOYSA-N- Molecular formula
- C15H12FNO3
- Average molar mass
- 273.26 g/mol
- Monoisotopic mass
- 273.08012141
Names & identifiers
- Preferred name
- n-(4-Fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
- IUPAC
- N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
- English name
- 1-Bromo-1-hexene
- Molecular formula
- C6H11Br
- Molecular weight
- 0
Names & synonyms
n-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamideCHEMBL5573388Cambridge id 5785228Oprea1_178973DTXSID50973437AKOS000670657EU-0070786ST50271755SR-01000426082SR-01000426082-1
Database identifiers
- CAS
5785-22-8- PubChem CID
- 742020
- DTXSID
DTXSID50973437- ChEMBL
CHEMBL5573388
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Chemistry & industry
Suppliers1 total
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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