Basic information
- CAS
5458-09-3- Standard SMILES
NC(=O)c1c(Br)cc(Br)c(NC(=O)CCl)c1Br- InChIKey
JWYBWXRIEFPYDV-UHFFFAOYSA-N- Molecular formula
- C9H6Br3ClN2O2
- Average molar mass
- 449.32 g/mol
- Monoisotopic mass
- 445.76679
Names & identifiers
- Preferred name
- 2,4,6-Tribromo-3-[(chloroacetyl)amino]benzamide
- IUPAC
- 2,4,6-tribromo-3-[(2-chloroacetyl)amino]benzamide
Names & synonyms
5458-09-32,4,6-tribromo-3-[(chloroacetyl)amino]benzamideNSC23793DTXSID80282004NSC-237932,4,6-Tribromo-3-(2-chloroacetamido)benzamide
Database identifiers
- CAS
5458-09-3- PubChem CID
- 229809
- DTXSID
DTXSID80282004
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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