Basic information
- CAS
18429-73-7- Standard SMILES
Cl.O=C(OCc1cnc[nH]1)c1ccccc1- InChIKey
MBSUQHJMCVLUPF-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O2
- Average molar mass
- 238.67 g/mol
- Monoisotopic mass
- 238.0509053
Names & identifiers
- Preferred name
- Imidazole-4-methanol, benzoate (ester), monohydrochloride
- IUPAC
- 1H-imidazol-5-ylmethyl benzoate;hydrochloride
Names & synonyms
Benzoic acid, imidazol-4-ylmethyl ester, hydrochloride18429-73-7Imidazole-4-methanol, benzoate (ester), monohydrochlorideDTXSID70171554RefChem:348906DTXCID80940451H-imidazol-5-ylmethyl benzoate hydrochloride (1:1)(1H-Imidazol-5-yl)methyl benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
18429-73-7- PubChem CID
- 205644
- DTXSID
DTXSID70171554
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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