Carbonic acid, hexyl p-iodophenethyl ester
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Basic information
- CAS
60075-77-6- Standard SMILES
CCCCCCOC(=O)OCCc1ccc(I)cc1- InChIKey
KAZKFUXBGSMSOQ-UHFFFAOYSA-N- Molecular formula
- C15H21IO3
- Average molar mass
- 376.23 g/mol
- Monoisotopic mass
- 376.05354
Names & identifiers
- Preferred name
- Carbonic acid, hexyl p-iodophenethyl ester
- IUPAC
- hexyl 2-(4-iodophenyl)ethyl carbonate
- English name
- Hexyl p-iodophenethyl=carbonate
- Molecular formula
- C15H21IO3
- Molecular weight
- 376.23
Names & synonyms
n-Hexyl p-iodophenethyl carbonateCARBONIC ACID, HEXYL p-IODOPHENETHYL ESTERBRN 198742860075-77-6Carbonic acid, hexyl 2-(4-iodophenyl)ethyl esterDTXSID20208809RefChem:333414DTXCID20131300hexyl 2-(4-iodophenyl)ethyl carbonateHexyl p-iodophenethyl=carbonate
Database identifiers
- CAS
60075-77-6- PubChem CID
- 43203
- DTXSID
DTXSID20208809- Nikkaji
- J72.607I
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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