Basic information
- CAS
86166-42-9- Standard SMILES
O=CNc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
YVQSKAMNPPEZTR-UHFFFAOYSA-N- Molecular formula
- C8H4I3NO3
- Average molar mass
- 542.84 g/mol
- Monoisotopic mass
- 542.7325
Names & identifiers
- Preferred name
- Benzoic acid, 3-formamido-2,4,6-triiodo-
- IUPAC
- 3-formamido-2,4,6-triiodobenzoic acid
Names & synonyms
3-Formamido-2,4,6-triiodobenzoic acidBRN 33346993-Formylamino-2,4,6-triiodobenzoic acidBENZOIC ACID, 3-FORMAMIDO-2,4,6-TRIIODO-Benzoic acid, 3-(formylamino)-2,4,6-triiodo-86166-42-9DTXSID302354294-14-00-01119 (Beilstein Handbook Reference)RefChem:327220DTXCID80157920
Database identifiers
- CAS
86166-42-9- PubChem CID
- 55475
- DTXSID
DTXSID30235429- Nikkaji
- J87.210E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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