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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 282995Generated: November 3, 2026

2-Tert-butyl-5-methylbenzene-1,4-dicarbonitrile

https://huagongshe.com/en/chemical/282995

2-Tert-butyl-5-methylbenzene-1,4-dicarbonitrile molecular structure

Identifiers & Physical Properties

CAS No.40787-65-3
Molecular formulaC13H14N2
Average molar mass198.26 g/mol
Monoisotopic mass198.11569846 g/mol
SMILESCc1cc(C#N)c(C(C)(C)C)cc1C#N
InChIKeyLOGLZKCLHOANLP-UHFFFAOYSA-N
PubChem CID282995
DTXSIDDTXSID60300477

Chemical & Physical Properties

XLogP3.4
Topological polar surface area47.6
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms15
Formal charge0
Complexity319