Basic information
- CAS
175203-11-9- Standard SMILES
COC(=O)c1cccc(Cn2cnc(Cl)c2Cl)c1- InChIKey
FQFIMFRRRMAAOP-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O2
- Average molar mass
- 285.12 g/mol
- Monoisotopic mass
- 284.011933
Names & identifiers
- Preferred name
- methyl 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]benzoate
- IUPAC
- methyl 3-[(4,5-dichloroimidazol-1-yl)methyl]benzoate
- English name
- Methyl 3-(4,5-dichloroimidazol-1-ylmethyl)benzoate
- Molecular formula
- C12H10Cl2N2O2
- Molecular weight
- 285.13
Names & synonyms
175203-11-9methyl 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]benzoateMethyl 3-((4,5-dichloro-1H-imidazol-1-yl)methyl)benzoateMETHYL 3-(4,5-DICHLOROIMIDAZOL-1-YLMETHYL)BENZOATEDTXSID40700754Benzoic acid, 3-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-, methyl ester
Database identifiers
- CAS
175203-11-9- PubChem CID
- 53435546
- DTXSID
DTXSID40700754
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 455.1 · 455.1±40.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.61(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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