4,5,6-trichloro-1H-benzoimidazole
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Basic information
- CAS
4812-43-5- Standard SMILES
Clc1cc2[nH]cnc2c(Cl)c1Cl- InChIKey
QULAOTHQGHPERK-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3N2
- Average molar mass
- 221.5 g/mol
- Monoisotopic mass
- 219.93618114
Names & identifiers
- Preferred name
- 4,5,6-trichloro-1H-benzoimidazole
- IUPAC
- 4,5,6-trichloro-1H-benzimidazole
Names & synonyms
4,5,6-trichloro-1H-benzoimidazole4812-43-5NSC 401567NSC401567SCHEMBL1192540DTXSID60322578QULAOTHQGHPERK-UHFFFAOYSA-NNSC-4015674,5,6-Trichloro-1H-1,3-benzimidazole
Database identifiers
- CAS
4812-43-5- PubChem CID
- 344585
- DTXSID
DTXSID60322578
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
6 records
Compound notes
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