Basic information
- Standard SMILES
CC(C)C(NC(=O)OCc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
BQNDXRZFPNDYRN-UHFFFAOYSA-N- Molecular formula
- C19H16Cl5NO4
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 496.952196
Names & identifiers
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Database identifiers
- PubChem CID
- 21415581
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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