Basic information
- CAS
113933-51-0- Standard SMILES
O=CN1c2cc(F)ccc2SC1c1ccc(O)cc1- InChIKey
ZYADMOTVLWYHQA-UHFFFAOYSA-N- Molecular formula
- C14H10FNO2S
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.0416279
Names & identifiers
- Preferred name
- 5-Fluoro-2-(4-hydroxyphenyl)-3(2H)-benzothiazolecarboxaldehyde
- IUPAC
- 5-fluoro-2-(4-hydroxyphenyl)-2H-1,3-benzothiazole-3-carbaldehyde
Names & synonyms
DTXSID601179577113933-51-05-Fluoro-2-(4-hydroxyphenyl)-3(2H)-benzothiazolecarboxaldehyde5-Fluoro-2-(4-hydroxyphenyl)-1,3-benzothiazole-3(2H)-carbaldehyde
Database identifiers
- CAS
113933-51-0- PubChem CID
- 85548433
- DTXSID
DTXSID601179577
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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