3-(Morpholin-4-yl)-5-(pentafluoro-lambda6-sulphanyl)benzoic acid
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Basic information
- Standard SMILES
O=C(O)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1- InChIKey
LAEDYPJYOIPVOE-UHFFFAOYSA-N- Molecular formula
- C11H12F5NO3S
- Average molar mass
- 333.28 g/mol
- Monoisotopic mass
- 333.04580523
Names & identifiers
- Preferred name
- 3-(Morpholin-4-yl)-5-(pentafluoro-lambda6-sulphanyl)benzoic acid
- IUPAC
- 3-morpholin-4-yl-5-(pentafluoro-lambda6-sulfanyl)benzoic acid
Names & synonyms
SCHEMBL15122791LAEDYPJYOIPVOE-UHFFFAOYSA-N3-(Morpholin-4-yl)-5-(pentafluoro-lambda6-sulphanyl)benzoic acid
Database identifiers
- PubChem CID
- 89699656
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
3 records
Compound notes
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