4-(2-Chloroethoxy)-1H-benzo[d]imidazole
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Basic information
- CAS
212062-44-7- Standard SMILES
ClCCOc1cccc2nc[nH]c12- InChIKey
VCVRUDMEVGTERM-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0403406
Names & identifiers
- Preferred name
- 4-(2-Chloroethoxy)-1H-benzo[d]imidazole
- IUPAC
- 4-(2-chloroethoxy)-1H-benzimidazole
- English name
- 1H-Benzimidazole,4-(2-chloroethoxy)-(9CI)
- Molecular formula
- C9H9ClN2O
- Molecular weight
- 196.63
Names & synonyms
4-(2-Chloroethoxy)-1H-benzo[d]imidazole212062-44-7SCHEMBL8130854SCHEMBL81308604-(2-Chloroethoxy)-benzimidazoleVCVRUDMEVGTERM-UHFFFAOYSA-N1H-Benzimidazole, 7-(2-chloroethoxy)-1H-Benzimidazole,4-(2-chloroethoxy)-(9CI)
Database identifiers
- CAS
212062-44-7- PubChem CID
- 15896042
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 442.3 · 442.3±20.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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