Benzoic acid, 4-[(heptafluoropropyl)thio]-
Basic information
- CAS
88489-74-1- Standard SMILES
O=C(O)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
DQFBXNUBIZWFAU-UHFFFAOYSA-N- Molecular formula
- C10H5F7O2S
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.98984771
Names & identifiers
- Preferred name
- Benzoic acid, 4-[(heptafluoropropyl)thio]-
- IUPAC
- 4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)benzoic acid
Names & synonyms
88489-74-1Benzoic acid, 4-[(heptafluoropropyl)thio]-DTXSID503984094-[(Heptafluoropropyl)thio]benzoic acid4-[(heptafluoropropyl)sulfanyl]benzoic acid
Database identifiers
- CAS
88489-74-1- PubChem CID
- 3989330
- DTXSID
DTXSID50398409- Nikkaji
- J614.053J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…