3H-Indazol-3-one, 2-(4-chloro-2-fluoro-5-(phenylmethoxy)phenyl)octahydro-
Basic information
- CAS
122855-14-5- Standard SMILES
O=C1C2CCCCC2NN1c1cc(OCc2ccccc2)c(Cl)cc1F- InChIKey
IYCWYKCBCFPDCD-UHFFFAOYSA-N- Molecular formula
- C20H20ClFN2O2
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1197337
Names & identifiers
- Preferred name
- 3H-Indazol-3-one, 2-(4-chloro-2-fluoro-5-(phenylmethoxy)phenyl)octahydro-
- IUPAC
- 2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one
Names & synonyms
122855-14-53H-Indazol-3-one, 2-(4-chloro-2-fluoro-5-(phenylmethoxy)phenyl)octahydro-DTXSID209242942-[5-(Benzyloxy)-4-chloro-2-fluorophenyl]octahydro-3H-indazol-3-one
Database identifiers
- CAS
122855-14-5- PubChem CID
- 183597
- DTXSID
DTXSID20924294
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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