Basic information
- CAS
89818-26-8- Standard SMILES
COc1ccc(SC#N)cc1F- InChIKey
XCWIDJFWVJPZBT-UHFFFAOYSA-N- Molecular formula
- C8H6FNOS
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.01541315
Names & identifiers
- Preferred name
- 3-Fluoro-4-methoxyphenyl thiocyanate
- IUPAC
- (3-fluoro-4-methoxyphenyl) thiocyanate
Names & synonyms
89818-26-83-Fluoro-4-methoxyphenyl thiocyanateDTXSID00618083RefChem:279430DTXCID005688372-fluoro-1-methoxy-4-thiocyanatobenzene
Database identifiers
- CAS
89818-26-8- PubChem CID
- 21789637
- DTXSID
DTXSID00618083
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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