Basic information
- Standard SMILES
O=c1[nH]nc(OCCC(O)c2ccc(Cl)cc2)c(Br)c1Br- InChIKey
LARISNZAHUMABL-UHFFFAOYSA-N- Molecular formula
- C13H11Br2ClN2O3
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 4,5-dibromo-6-[3-(4-chlorophenyl)-3-hydroxypropyloxy]-3(2H)pyridazinone
- IUPAC
- 4,5-dibromo-3-[3-(4-chlorophenyl)-3-hydroxypropoxy]-1H-pyridazin-6-one
Names & synonyms
SCHEMBL8113772LARISNZAHUMABL-UHFFFAOYSA-N4,5-dibromo-6-[3-(4-chlorophenyl)-3- hydroxypropyloxy]-3(2H)pyridazinone
Database identifiers
- PubChem CID
- 54023701
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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