Basic information
- CAS
90642-23-2- Standard SMILES
O=C(CI)Nc1cc(O)c(C(=O)O)cc1Br- InChIKey
YTLZGGANKYZQSX-UHFFFAOYSA-N- Molecular formula
- C9H7BrINO4
- Average molar mass
- 399.96 g/mol
- Monoisotopic mass
- 398.86032
Names & identifiers
- Preferred name
- 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid
- IUPAC
- 5-bromo-2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid
Names & synonyms
90642-23-2NSC61667NCIOpen2_0078725-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acidDTXSID70289502NSC-61667
Database identifiers
- CAS
90642-23-2- PubChem CID
- 247271
- DTXSID
DTXSID70289502
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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