Basic information
- CAS
102274-40-8- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Cl)cc1- InChIKey
NMXSQMILUARPIL-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O4
- Average molar mass
- 309.7 g/mol
- Monoisotopic mass
- 309.0516336
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate
- IUPAC
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-chlorobenzoate
Names & synonyms
102274-40-8NSC302323CHEMBL18145082-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoateDTXSID701187587AKOS008858501NSC-302323
Database identifiers
- CAS
102274-40-8- PubChem CID
- 327403
- DTXSID
DTXSID701187587- ChEMBL
CHEMBL1814508
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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