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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54046874Generated: November 3, 2026

Methyl 2-benzylmercapto-3-nitrobenzoate

https://huagongshe.com/en/chemical/54046874

Methyl 2-benzylmercapto-3-nitrobenzoate molecular structure

Identifiers & Physical Properties

Molecular formulaC15H13NO4S
Average molar mass303.3 g/mol
Monoisotopic mass303.05652907 g/mol
SMILESCOC(=O)c1cccc([N+](=O)[O-])c1SCc1ccccc1
InChIKeyLQENXUNJRDJHON-UHFFFAOYSA-N
PubChem CID54046874

Chemical & Physical Properties

XLogP3.6
Topological polar surface area97.4
Hydrogen bond donors0
Hydrogen bond acceptors5
Rotatable bonds5
Heavy atoms21
Formal charge0
Complexity365