Basic information
- CAS
1672668-25-5- Standard SMILES
CC(=O)OC1c2c(S(C)(=O)=O)ccc(Oc3cc(F)cc(C#N)c3)c2CC1F- InChIKey
WEGVGLVRGDDSDQ-UHFFFAOYSA-N- Molecular formula
- C19H15F2NO5S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.06390008
Names & identifiers
- Preferred name
- benzonitrile, 3-(((1S,2R)-1-(acetyloxy)-2-fluoro-2,3-dihydro-7-(methylsulfonyl)-1H-inden-4-yl)oxy)-5-fluoro-
- IUPAC
- [4-(3-cyano-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-yl] acetate
Names & synonyms
1672668-25-5RefChem:566204874-383-5benzonitrile, 3-(((1S,2R)-1-(acetyloxy)-2-fluoro-2,3-dihydro-7-(methylsulfonyl)-1H-inden-4-yl)oxy)-5-fluoro-benzonitrile, 3-[[(1S,2R)-1-(acetyloxy)-2-fluoro-2,3-dihydro-7-(methylsulfonyl)-1H-inden-4-yl]oxy]-5-fluoro-(ACI)WEGVGLVRGDDSDQ-UHFFFAOYSA-N
Database identifiers
- CAS
1672668-25-5- PubChem CID
- 171036331
- EC Number
- 874-383-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 745
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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