Basic information
- CAS
1261770-41-5- Standard SMILES
FC(F)Oc1cc2ccccc2cn1- InChIKey
QASNZDPCRRIIBD-UHFFFAOYSA-N- Molecular formula
- C10H7F2NO
- Average molar mass
- 195.16 g/mol
- Monoisotopic mass
- 195.04957017
Names & identifiers
- Preferred name
- 3-(Difluoromethoxy)isoquinoline
- IUPAC
- 3-(difluoromethoxy)isoquinoline
- English name
- 3-(difluoroMethoxy)isoquinoline
- Molecular formula
- C10H7F2NO
- Molecular weight
- 195.17
Names & synonyms
3-(difluoromethoxy)isoquinoline1261770-41-5SCHEMBL21436333DTXSID50744740DB-293719Isoquinoline, 3-(difluoromethoxy)-
Database identifiers
- CAS
1261770-41-5- PubChem CID
- 71302811
- DTXSID
DTXSID50744740
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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