1-Bromo-4-iodo-2,5-dipropoxybenzene
Basic information
- CAS
216306-45-5- Standard SMILES
CCCOc1cc(I)c(OCCC)cc1Br- InChIKey
IHYHUYDKMUNBNQ-UHFFFAOYSA-N- Molecular formula
- C12H16BrIO2
- Average molar mass
- 399.06 g/mol
- Monoisotopic mass
- 397.93784
Names & identifiers
- Preferred name
- 1-Bromo-4-iodo-2,5-dipropoxybenzene
- IUPAC
- 1-bromo-4-iodo-2,5-dipropoxybenzene
Names & synonyms
1-bromo-4-iodo-2,5-dipropoxybenzenebenzene, 1-bromo-4-iodo-2,5-dipropoxy-216306-45-5DTXSID60349149RefChem:228612DTXCID70300221InChI=1/C12H16BrIO2/c1-3-5-15-11-8-10(14)12(7-9(11)13)16-6-4-2/h7-8H,3-6H2,1-2H
Database identifiers
- CAS
216306-45-5- PubChem CID
- 643340
- DTXSID
DTXSID60349149- Nikkaji
- J1.006.173C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
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Related reactions
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Compound notes
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