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Basic information
- CAS
91167-63-4- Standard SMILES
CC(C)Oc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl- InChIKey
CXKAPDFYKAWQRM-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2FN2O
- Average molar mass
- 343.2 g/mol
- Monoisotopic mass
- 342.0701967
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
- IUPAC
- 3-chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazole
Names & synonyms
91167-63-43-chloro-2-(4-chloro-2-fluoro-5-isopropoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole3-chloro-2-[4-chloro-2-fluoro-5-(propan-2-yloxy)phenyl]-4,5,6,7-tetrahydro-2H-indazole3-Chloro-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4,5,6,7-tetrahydroindazoleSCHEMBL9157698DTXSID20919923CXKAPDFYKAWQRM-UHFFFAOYSA-N3-Chloro-2-{4-chloro-2-fluoro-5-[(propan-2-yl)oxy]phenyl}-4,5,6,7-tetrahydro-2H-indazole
Database identifiers
- CAS
91167-63-4- PubChem CID
- 185079
- DTXSID
DTXSID20919923
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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