1H-Imidazole, 2,4,5-trichloro-1-propyl-
Basic information
- CAS
111161-00-3- Standard SMILES
CCCn1c(Cl)nc(Cl)c1Cl- InChIKey
QOSIOLDHPNNAFH-UHFFFAOYSA-N- Molecular formula
- C6H7Cl3N2
- Average molar mass
- 213.5 g/mol
- Monoisotopic mass
- 211.967481
Names & identifiers
- Preferred name
- 1H-Imidazole, 2,4,5-trichloro-1-propyl-
- IUPAC
- 2,4,5-trichloro-1-propylimidazole
Names & synonyms
1H-Imidazole, 2,4,5-trichloro-1-propyl-111161-00-32,4,5-trichloro-1-propyl-1H-imidazoleDTXSID30149517
Database identifiers
- CAS
111161-00-3- PubChem CID
- 86303
- DTXSID
DTXSID30149517- Nikkaji
- J1.595.788C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
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Compound notes
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