Basic information
- CAS
104575-36-2- Standard SMILES
COc1cc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc(OC)c1OC- InChIKey
SVTLMDWAMSAFIE-UHFFFAOYSA-N- Molecular formula
- C16H19N3O7
- Average molar mass
- 365.34 g/mol
- Monoisotopic mass
- 365.12229995
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
- IUPAC
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
- English name
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
- Molecular formula
- C16H19N3O7
- Molecular weight
- 365.34
Names & synonyms
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate104575-36-2Benzoic acid, 3,4,5-trimethoxy-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-trimethoxybenzoateCHEMBL290851SCHEMBL3770193DTXSID00146578DB-181186
Database identifiers
- CAS
104575-36-2- PubChem CID
- 149338
- DTXSID
DTXSID00146578- ChEMBL
CHEMBL290851
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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