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Chemical structure of tert-Butyl 3,5-dinitrobenzoate

GC74688

tert-Butyl 3,5-dinitrobenzoate

Also known as tert-butyl 3,5-dinitrobenzoate

Tert-butyl 3,5-dinitrobenzoate is an intermediate or reactant in organic synthesis and can also play a role in drug synthesis, dye preparation and other chemical fields

ChemicalCAS5342-97-2MW268.22FormulaC11H12N2O6
CAS number
5342-97-2
Molecular weight
268.22
Formula
C11H12N2O6
InChIKey
JETCTPYQTQUQPA-UHFFFAOYSA-N
Catalogue number
GC74688
Brand
GLPBIO
Computed properties PubChem CID 220664 · XLogP 2.8 · TPSA 118 Ų · H-bond donors 0
XLogP
2.8
TPSA
118 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19

SMILES CC(C)(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Computed descriptors from PubChem (CID 220664), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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