Basic information
- Standard SMILES
Cc1c(Br)ccc(S(C)(=O)=O)c1C1=NOC(CCCCCl)C1- InChIKey
AJMLCLZNIPLWFO-UHFFFAOYSA-N- Molecular formula
- C15H19BrClNO3S
- Average molar mass
- 408.7 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-2-methyl-3-[5-(4-chlorobutyl)-4,5-dihydroisoxazol-3-yl]-4-methylsulfonylbenzene
- IUPAC
- 3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-5-(4-chlorobutyl)-4,5-dihydro-1,2-oxazole
Names & synonyms
SCHEMBL7233095AJMLCLZNIPLWFO-UHFFFAOYSA-N1-Bromo-2-methyl-3-[5-(4-chlorobutyl)-4,5-dihydroisoxazol-3-yl]-4-methylsulfonylbenzene
Database identifiers
- PubChem CID
- 22996973
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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