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Basic information
- CAS
203664-13-5- Standard SMILES
COC(=O)c1ccc(C(=O)c2ncc[nH]2)cc1- InChIKey
ZMBVXMZOHJIGTL-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- Methyl 4-(1H-imidazole-2-carbonyl)benzoate
- IUPAC
- methyl 4-(1H-imidazole-2-carbonyl)benzoate
Names & synonyms
203664-13-5Benzoic acid, 4-(1H-imidazol-2-ylcarbonyl)-, methyl esterMethyl 4-(1H-imidazole-2-carbonyl)benzoateSCHEMBL6747205ZMBVXMZOHJIGTL-UHFFFAOYSA-NDTXSID601260542AKOS002664633methyl 4-[(imidazol-2-yl)carbonyl]benzoatemethyl 4-(1H-imidazol-2-ylcarbonyl)benzoate
Database identifiers
- CAS
203664-13-5- PubChem CID
- 3446559
- DTXSID
DTXSID601260542
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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