Basic information
- CAS
18429-76-0- Standard SMILES
Cc1ccc(C(=O)OCc2cnc[nH]2)cc1.Cl- InChIKey
VXXSRNVYKXSRGE-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- p-Toluic acid, imidazol-4-ylmethyl ester, monohydrochloride
- IUPAC
- 1H-imidazol-5-ylmethyl 4-methylbenzoate;hydrochloride
Names & synonyms
p-Toluic acid, imidazol-4-ylmethyl ester, monohydrochlorideImidazole-4-methanol, p-toluate (ester), hydrochloride18429-76-0DTXSID30171555RefChem:367806DTXCID3094046(1H-Imidazol-5-yl)methyl 4-methylbenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
18429-76-0- PubChem CID
- 205646
- DTXSID
DTXSID30171555
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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