1-(2-Nitrophenoxy)octane

C₁₄H₂₁NO₃CAS 37682-29-4251.33 g/mol

Open in Covalent MOL file

Nitro Tertiary Amine

Properties

Molecular formula: C₁₄H₂₁NO₃
Molar mass: 251.33 g/mol
Exact mass: 251.1521 Da
logP: 4.33Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 9

Identifiers

CAS number

37682-29-4

SMILES

CCCCCCCCOc1ccccc1[N+](=O)[O-]

InChIKey

CXVOIIMJZFREMM-UHFFFAOYSA-N

InChI

InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Benzene, 1-nitro-2-(octyloxy)-
1-Nitro-2-(octyloxy)benzene
2-Nitrophenyl octyl ether
o-Nitrophenyl octyl ether
o-Nitrophenyl n-octyl ether
o-NPOE
2-Nitrophenyl n-octyl ether
1-Nitro-2-octoxybenzene

Work with 1-(2-Nitrophenoxy)octane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2,6-Di-tert-butyl-4-nitrophenol728-40-5

Elsewhere

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