4-Hydroxy-3-nitrobenzyl alcohol

C7H7NO4CAS 41833-13-0169.14 g/mol

Open in Covalent MOL file
HON+OO−OH
AlcoholNitroPhenol

Properties

Molecular formula
C7H7NO4
Molar mass
169.14 g/mol
Exact mass
169.0375 Da
logP
0.79Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41833-13-0
SMILES
C1=CC(=C(C=C1CO)[N+](=O)[O-])O
InChIKey
IMLGJYRKLCMJPI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2

Weigh it out

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

Work with 4-Hydroxy-3-nitrobenzyl alcohol

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

4-Methyl-3-nitrobenzenemethanol40870-59-565 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-465 % similar 4-Hydroxy-3-nitrophenylacetic acid10463-20-463 % similar 3-Methyl-4-nitrobenzenemethanol80866-75-761 % similar 2,4-Dinitrophenol51-28-560 % similar 4-Fluoro-2-nitrophenol394-33-258 % similar 4-Methyl-2-nitrophenol119-33-557 % similar 4-Amino-2-nitrophenol119-34-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-3-nitrophenol15174-02-4 4-Methoxy-2-nitrophenol1568-70-3 3-Methoxy-4-nitrophenol16292-95-8 2-Methoxy-4-nitrophenol3251-56-7 N-Succinimidyl acrylate38862-24-7 3,4,5-Trihydroxybenzamide618-73-5 5-Nitroguaiacol636-93-1 5-Methoxy-2-nitrophenol704-14-3

Elsewhere

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