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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12448564Generated: October 30, 2026

4-Nitrophenyl 2,4,6-trimethylbenzoate

https://huagongshe.com/en/chemical/12448564

4-Nitrophenyl 2,4,6-trimethylbenzoate molecular structure

Identifiers & Physical Properties

CAS No.70076-07-2
Molecular formulaC16H15NO4
Average molar mass285.29 g/mol
Monoisotopic mass285.10010796 g/mol
SMILESCc1cc(C)c(C(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1
InChIKeyZODXLTICRHVRCU-UHFFFAOYSA-N
PubChem CID12448564
DTXSIDDTXSID60498727

Chemical & Physical Properties

XLogP4.3
Topological polar surface area72.1
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms21
Formal charge0
Complexity372