Compound C21H34Cl3NO3

2-(2,4,5-trichlorophenoxy)acetate;tridecylazanium

CAS: 53404-85-6

Molecular Formula	`C21H34Cl3NO3`
Molecular Weight	454.9 g/mol
Topological Polar Surface Area	77.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	13
Exact Mass	453.16043
Heavy Atoms	28
Complexity	298.0

Chemical Identifiers

CAS Number	53404-85-6
SMILES	`CCCCCCCCCCCCC[NH3+].C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-]`
InChIKey	`VQPUSCJJQMXTGM-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H34Cl3NO3 (CAS: 53404-85-6) is a chemical compound with molecular formula C21H34Cl3NO3 and molecular weight 454.9 g/mol. Its IUPAC systematic name is 2-(2,4,5-trichlorophenoxy)acetate;tridecylazanium. Topological Polar Surface Area 77.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 13 Exact Mass 453.16043 Heavy Atoms 28 Complexity 298.0 InChI Key: VQPUSCJJQMXTGM-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCC[NH3+].C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].

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