Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(Br)nn(CCN3CCCC3)c2c1- InChIKey
IOYKETQPVMPTFD-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4O2
- Average molar mass
- 339.19 g/mol
Names & identifiers
- Preferred name
- 3-bromo-6-nitro-1-(2-pyrrolidin-1-yl-ethyl)-1H-indazole
- IUPAC
- 3-bromo-6-nitro-1-(2-pyrrolidin-1-ylethyl)indazole
Names & synonyms
SCHEMBL6069613IOYKETQPVMPTFD-UHFFFAOYSA-N3-bromo-6-nitro-1-(2-pyrrolidin-1-yl-ethyl)-1H-indazole
Database identifiers
- PubChem CID
- 22036626
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
4 records
Compound notes
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