Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
IABPTBALXRQHTH-UHFFFAOYSA-N- Molecular formula
- C15H16BrN3O4
- Average molar mass
- 382.21 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl [4-bromo-3-(4-nitrophenyl)-1H-pyrazol-1-yl]acetate
- IUPAC
- tert-butyl 2-[4-bromo-3-(4-nitrophenyl)pyrazol-1-yl]acetate
Names & synonyms
SCHEMBL5136474IABPTBALXRQHTH-UHFFFAOYSA-N1,1-dimethylethyl [4-bromo-3-(4-nitrophenyl)-1H-pyrazol-1-yl]acetate
Database identifiers
- PubChem CID
- 69326573
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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