Carbonic acid, hexyl p-iodobenzyl ester
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Basic information
- CAS
60075-68-5- Standard SMILES
CCCCCCOC(=O)OCc1ccc(I)cc1- InChIKey
QQBIIJUFTHYHHY-UHFFFAOYSA-N- Molecular formula
- C14H19IO3
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 362.03789
Names & identifiers
- Preferred name
- Carbonic acid, hexyl p-iodobenzyl ester
- IUPAC
- hexyl (4-iodophenyl)methyl carbonate
- English name
- Hexyl p-iodobenzyl=carbonate
- Molecular formula
- C14H19IO3
- Molecular weight
- 362.2
Names & synonyms
CARBONIC ACID, HEXYL p-IODOBENZYL ESTERn-Hexyl p-iodobenzyl carbonate60075-68-5BRN 1977129Carbonic acid, hexyl (4-iodophenyl)methyl esterDTXSID80208805RefChem:333413DTXCID90131296hexyl (4-iodophenyl)methyl carbonate4-Iodbenzyl-n-hexylcarbonatHexyl p-iodobenzyl=carbonate
Database identifiers
- CAS
60075-68-5- PubChem CID
- 43197
- DTXSID
DTXSID80208805- Nikkaji
- J72.606K
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Density
- 1.443 · 1.4430 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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