Basic information
- CAS
86166-39-4- Standard SMILES
O=C(Nc1c(I)cc(I)cc1C(=O)O)c1ccccc1- InChIKey
ZBYHDRJUYBZIBL-UHFFFAOYSA-N- Molecular formula
- C14H9I2NO3
- Average molar mass
- 493.03 g/mol
- Monoisotopic mass
- 492.86719
Names & identifiers
- Preferred name
- Anthranilic acid, N-benzoyl-3,5-diiodo-
- IUPAC
- 2-benzamido-3,5-diiodobenzoic acid
Names & synonyms
ANTHRANILIC ACID, N-BENZOYL-3,5-DIIODO-86166-39-4N-Benzoyl-3,5-diiodoanthranilic acid2-benzamido-3,5-diiodobenzoic acid2-Benzoylamino-3,5-diiodobenzoic acidBRN 3395000Benzoic acid, 2-(benzoylamino)-3,5-diiodo-DTXSID70235428
Database identifiers
- CAS
86166-39-4- PubChem CID
- 55474
- DTXSID
DTXSID70235428- Nikkaji
- J60.460G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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