Basic information
- CAS
3384-30-3- Standard SMILES
Clc1ccccc1OCc1nc2ccccc2[nH]1- InChIKey
UIPOKFUXNJLYAO-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0559907
Names & identifiers
- Preferred name
- 2-(2-chlorophenoxymethyl)-1H-1,3-benzodiazole
- IUPAC
- 2-[(2-chlorophenoxy)methyl]-1H-benzimidazole
- English name
- 2-(2-chlorophenoxymethyl)-1H-1,3-benzodiazole
- Molecular formula
- C14H11ClN2O
- Molecular weight
- 258.7
Names & synonyms
2-(2-chlorophenoxymethyl)-1H-1,3-benzodiazole3384-30-32-[(2-chlorophenoxy)methyl]-1H-benzimidazoleBenzimidazole, 2-((o-chlorophenoxy)methyl)-NSC697072CHEMBL1721562-((2-Chlorophenoxy)methyl)-1H-benzimidazole2-((o-Chlorophenoxy)methyl)benzimidazole2-[(2-chlorophenoxy)methyl]-1H-1,3-benzodiazoleSCHEMBL7692504DTXSID80187484BDBM50404934
Show more names
1H-Benzimidazole, 2-[(2-chlorophenoxy)methyl]-
EBC-08305SBB0462622-(2-Chlorphenoxymethyl)-benzimidazolAKOS000275569CCG-153592NSC-697072CS-02490501-(benzimidazol-2-ylmethoxy)-2-chlorobenzene
Database identifiers
- CAS
3384-30-3- PubChem CID
- 393987
- DTXSID
DTXSID80187484- ChEMBL
CHEMBL172156- Nikkaji
- J26.636A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 190 °C · 190 °C
- Boiling point
- 493.8 · 493.8±25.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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