Basic information
- CAS
1167056-07-6- Standard SMILES
COc1cc(Cl)c2n[nH]c(Cl)c2c1Cl- InChIKey
RWCWIFBBMLAPBF-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3N2O
- Average molar mass
- 251.5 g/mol
- Monoisotopic mass
- 249.946746
Names & identifiers
- Preferred name
- 3,4,7-Trichloro-5-methoxy-1H-indazole
- IUPAC
- 3,4,7-trichloro-5-methoxy-2H-indazole
Names & synonyms
3,4,7-Trichloro-5-methoxy-1H-indazole1167056-07-63,4,7-trichloro-5-methoxy-2H-indazole1H-Indazole, 3,4,7-trichloro-5-methoxy-DTXSID801287253
Database identifiers
- CAS
1167056-07-6- PubChem CID
- 53399622
- DTXSID
DTXSID801287253
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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