Basic information
- CAS
67987-29-5- Standard SMILES
CCCCOC(=O)OCc1ccc(I)cc1- InChIKey
WKIGLQGNJCDLHS-UHFFFAOYSA-N- Molecular formula
- C12H15IO3
- Average molar mass
- 334.15 g/mol
- Monoisotopic mass
- 334.00659
Names & identifiers
- Preferred name
- Carbonic acid, butyl-p-iodobenzyl ester
- IUPAC
- butyl (4-iodophenyl)methyl carbonate
- English name
- Carbonic acid butyl p-iodobenzyl ester
- Molecular weight
- 0
Names & synonyms
CARBONIC ACID, BUTYL-p-IODOBENZYL ESTERCarbonic acid, butyl (4-iodophenyl)methyl esterBRN 227233067987-29-5DTXSID20218180RefChem:333373DTXCID40140671butyl (4-iodophenyl)methyl carbonateCarbonic acid butyl p-iodobenzyl ester
Database identifiers
- CAS
67987-29-5- PubChem CID
- 50009
- DTXSID
DTXSID20218180- Nikkaji
- J68.705G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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