3-(4-chloro-3-nitro-phenyl)-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]prop-2-enamide
Basic information
- CAS
6946-75-4- Standard SMILES
CCCCCCC(O)C(=O)OCCC(C)C- InChIKey
FMOZUKSKENNHCC-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Names & identifiers
- Preferred name
- 3-(4-chloro-3-nitro-phenyl)-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]prop-2-enamide
- IUPAC
- 3-methylbutyl 2-hydroxyoctanoate
Names & synonyms
NSC57357NSC-57357DS-0138313-(4-chloro-3-nitro-phenyl)-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]prop-2-enamide
Database identifiers
- CAS
6946-75-4- PubChem CID
- 245407
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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