Basic information
- CAS
387350-49-4- Standard SMILES
O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(I)cc1- InChIKey
DGYBNTZVVSWONR-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2INO3
- Average molar mass
- 450.1 g/mol
- Monoisotopic mass
- 448.90825
Names & identifiers
- Preferred name
- 2-[(4-Iodophenyl)amino]-2-oxoethyl 2,6-dichlorobenzoate
- IUPAC
- [2-(4-iodoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
Names & synonyms
2-[(4-Iodophenyl)amino]-2-oxoethyl 2,6-dichlorobenzoateDTXSID001203104AKOS000854756387350-49-42-(4-Iodoanilino)-2-oxoethyl 2,6-dichlorobenzoateZ18402361
Database identifiers
- CAS
387350-49-4- PubChem CID
- 2382004
- DTXSID
DTXSID001203104
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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