chempirical

2-(4-Nitrophenoxy)ethanol

C8H9NO4CAS 16365-27-8183.16 g/mol

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AlcoholEtherNitro

Properties

Molecular formula
C8H9NO4
Molar mass
183.16 g/mol
Exact mass
183.0532 Da
Melting point
89–92 °C
Boiling point
182–183 °C (at 1 Torr)
logP
0.97Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
16365-27-8
SMILES
O=[N+]([O-])c1ccc(OCCO)cc1
InChIKey
YAPAEYFBLRVUMH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2

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Names and synonyms

9 names
  • Ethanol, 2-(4-nitrophenoxy)-
  • Ethanol, 2-(p-nitrophenoxy)-
  • β-Hydroxyethyl p-nitrophenyl ether
  • 2-(p-Nitrophenoxy)ethanol
  • 4-Nitro-(2-hydroxyethoxy)benzene
  • NSC 30512
  • NSC 47172
  • 2-((4-Nitrophenyl)oxy)ethanol
  • 2-(4-Nitrophenoxy)ethan-1-ol

Work with 2-(4-Nitrophenoxy)ethanol

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

Similar compounds

1-(2-Bromoethoxy)-4-nitrobenzene13288-06-766 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-066 % similar P-Nitrophenetole100-29-865 % similar 1-Butoxy-4-nitrobenzene7244-78-262 % similar 2-(4-Nitrophenyl)ethanol100-27-659 % similar Hydroquinone bis(2-hydroxyethyl) ether104-38-159 % similar (4-Nitrophenoxy)acetic acid1798-11-456 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dimethoxy-1-nitrobenzene4920-84-7 4-Maleimidobutyric acid57078-98-5 1,2-Dimethoxy-4-nitrobenzene709-09-1 1,4-Dimethoxy-2-nitrobenzene89-39-4

Elsewhere

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