Basic information
- CAS
17641-11-1- Standard SMILES
O=C(CI)Nc1ccc(OC(=O)CI)cc1- InChIKey
PASZUJBQKLPTNX-UHFFFAOYSA-N- Molecular formula
- C10H9I2NO3
- Average molar mass
- 444.99 g/mol
- Monoisotopic mass
- 444.86719
Names & identifiers
- Preferred name
- [4-[(2-Iodoacetyl)amino]phenyl] 2-iodoacetate
- IUPAC
- [4-[(2-iodoacetyl)amino]phenyl] 2-iodoacetate
Names & synonyms
17641-11-1NSC 221260[4-[(2-iodoacetyl)amino]phenyl] 2-iodoacetateNSC221260DTXSID803100134-(2-Iodoacetamido)phenyl iodoacetateNSC-221260
Database identifiers
- CAS
17641-11-1- PubChem CID
- 312220
- DTXSID
DTXSID80310013
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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