Benzoic acid, 4-(allyloxy)-3,5-diiodo-
Basic information
- CAS
91634-08-1- Standard SMILES
C=CCOc1c(I)cc(C(=O)O)cc1I- InChIKey
VILIAHQDNNOZJA-UHFFFAOYSA-N- Molecular formula
- C10H8I2O3
- Average molar mass
- 429.98 g/mol
- Monoisotopic mass
- 429.85629
Names & identifiers
- Preferred name
- Benzoic acid, 4-(allyloxy)-3,5-diiodo-
- IUPAC
- 3,5-diiodo-4-prop-2-enoxybenzoic acid
- English name
- 4-(Allyloxy)-3,5-diiodobenzoic acid
- Molecular formula
- C10H8I2O3
- Molecular weight
- 429.97766
Names & synonyms
91634-08-1BRN 2649717BENZOIC ACID, 4-(ALLYLOXY)-3,5-DIIODO-4-Allyloxy-3,5-diiodobenzoic acidDTXSID50238654RefChem:327467DTXCID00161145SCHEMBL77536703,5-Diiodo-4-[(prop-2-en-1-yl)oxy]benzoic acid4-(Allyloxy)-3,5-diiodobenzoic acid
Database identifiers
- CAS
91634-08-1- PubChem CID
- 56277
- DTXSID
DTXSID50238654- Nikkaji
- J73.807G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
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Compound notes
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