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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86014591Generated: October 27, 2026

4-Methoxycarbonyl-3-nitrophenyl isothiocyanate

https://huagongshe.com/en/chemical/86014591

4-Methoxycarbonyl-3-nitrophenyl isothiocyanate molecular structure

Identifiers & Physical Properties

Molecular formulaC9H6N2O4S
Average molar mass238.22 g/mol
SMILESCOC(=O)c1ccc(N=C=S)cc1[N+](=O)[O-]
InChIKeyZFDOPUXUVXPLEQ-UHFFFAOYSA-N
PubChem CID86014591

Chemical & Physical Properties

XLogP3.1
Topological polar surface area117
Hydrogen bond donors0
Hydrogen bond acceptors6
Rotatable bonds3
Heavy atoms16
Formal charge0
Complexity335