2-Nitrobenzeneethanol
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Density
- 1.253 g/mL (at 22 °C)
- Melting point
- 2 °C
- Boiling point
- 267 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 63.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
15121-84-3SMILES
O=[N+]([O-])c1ccccc1CCOInChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzeneethanol, 2-nitro-
- Phenethyl alcohol, o-nitro-
- 2-(o-Nitrophenyl)ethanol
- o-Nitrophenethyl alcohol
- 2-(o-Nitrophenyl)ethyl alcohol
- 2-Nitrophenethyl alcohol
- 2-(2-Nitrophenyl)ethanol
- 2-(2-Hydroxyethyl)nitrobenzene
- 1-(2-Hydroxyethyl)-2-nitrobenzene
- 2-(2-Nitrophenyl)ethan-1-ol
Work with 2-Nitrobenzeneethanol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2′-Dinitrodibenzyl16968-19-776 % similar
2-Nitrobenzyl alcohol612-25-971 % similar
2-Nitrobenzyl bromide3958-60-959 % similar
1-Ethyl-2-nitrobenzene612-22-659 % similar
2-Nitrobenzyl chloride612-23-759 % similar
2-Nitrobenzeneacetonitrile610-66-256 % similar
(2-Nitrophenyl)acetic acid3740-52-155 % similar
Hc yellow 24926-55-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds