Basic information
- CAS
18429-75-9- Standard SMILES
O=C(OCc1c[nH+]c[nH]1)c1ccc(Cl)cc1.[Cl-]- InChIKey
HPZUFKKUJXKTPF-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2O2
- Average molar mass
- 273.11 g/mol
- Monoisotopic mass
- 272.011933
Names & identifiers
- Preferred name
- Benzoic acid, p-chloro-, imidazol-4-ylmethyl ester, monohydrochloride
- IUPAC
- 1H-imidazol-3-ium-5-ylmethyl 4-chlorobenzoate chloride
Names & synonyms
BENZOIC ACID, p-CHLORO-, IMIDAZOL-4-YLMETHYL ESTER, MONOHYDROCHLORIDE18429-75-9RefChem:1079313p-Chlorobenzoic acid imidazol-4-ylmethyl ester hydrochlorideImidazole-4-methanol, p-chlorobenzoate (ester), hydrochloride
Database identifiers
- CAS
18429-75-9- PubChem CID
- 29067
Properties
Computed structural properties
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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