ethyl 4-nitrophenyl octylphosphonate

1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene

CAS: 3015-78-9

Molecular Formula	`C16H26NO5P`
Molecular Weight	343.35 g/mol
LogP	4.9
Topological Polar Surface Area	81.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	11
Exact Mass	343.15485
Heavy Atoms	23
Complexity	377.0

Chemical Identifiers

CAS Number	3015-78-9
SMILES	`CCCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]`
InChIKey	`MPURXCAUNNEKMR-UHFFFAOYSA-N`

📖 Product Overview

ethyl 4-nitrophenyl octylphosphonate (CAS: 3015-78-9) is a chemical compound with molecular formula C16H26NO5P and molecular weight 343.35 g/mol. Its IUPAC systematic name is 1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene. LogP 4.9 Topological Polar Surface Area 81.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 11 Exact Mass 343.15485 Heavy Atoms 23 Complexity 377.0 InChI Key: MPURXCAUNNEKMR-UHFFFAOYSA-N. SMILES: CCCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-].

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