Basic information
- CAS
136480-53-0- Standard SMILES
CCCCCOCn1c(Br)nc(Cl)c1Cl- InChIKey
KRHBEFSPHTUZKF-UHFFFAOYSA-N- Molecular formula
- C9H13BrCl2N2O
- Average molar mass
- 316.02 g/mol
- Monoisotopic mass
- 313.95883
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-bromo-4,5-dichloro-1-((pentyloxy)methyl)-
- IUPAC
- 2-bromo-4,5-dichloro-1-(pentoxymethyl)imidazole
Names & synonyms
136480-53-01H-Imidazole, 2-bromo-4,5-dichloro-1-((pentyloxy)methyl)-2-bromo-4,5-dichloro-1-[(pentyloxy)methyl]-1H-imidazoleDTXSID80929447
Database identifiers
- CAS
136480-53-0- PubChem CID
- 178339
- DTXSID
DTXSID80929447- Nikkaji
- J435.306D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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