Basic information
- CAS
19094-55-4- Standard SMILES
COc1c(I)cc(I)cc1C(=O)O- InChIKey
HLZOAFKJWZBDPO-UHFFFAOYSA-N- Molecular formula
- C8H6I2O3
- Average molar mass
- 403.94 g/mol
- Monoisotopic mass
- 403.84064
Names & identifiers
- Preferred name
- o-Anisic acid, 3,5-diiodo-
- IUPAC
- 3,5-diiodo-2-methoxybenzoic acid
Names & synonyms
3,5-Diiodo-2-methoxybenzoic acido-ANISIC ACID, 3,5-DIIODO-3,5-Diiodo-o-anisic acid19094-55-4BRN 2723364DTXSID501726053-10-00-00189 (Beilstein Handbook Reference)RefChem:366366DTXCID5095096CHEMBL3298113SCHEMBL10370336
Database identifiers
- CAS
19094-55-4- PubChem CID
- 29424
- DTXSID
DTXSID50172605- ChEMBL
CHEMBL3298113
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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