chempirical

5-(4-Nitrophenyl)furfuryl alcohol

C11H9NO4CAS 33342-30-2219.20 g/mol

Open in Covalent MOL file
OHON+OO−
AlcoholNitro

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
logP
2.35Crippen estimate
Polar surface area
76.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
33342-30-2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CO)[N+](=O)[O-]
InChIKey
SRCRGLMTENDDRR-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-6,13H,7H2

Weigh it out

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Work with 5-(4-Nitrophenyl)furfuryl 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

5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-555 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-155 % similar 4-Nitrobenzyl alcohol619-73-854 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-150 % similar 4-Hydroxy-4'-nitrobiphenyl3916-44-746 % similar 1,4-Dinitrobenzene100-25-445 % similar (4,4'-Dinitro-[1,1'-biphenyl]-2,2'-diyl)dimethanol5047-02-945 % similar 2-(4-Nitrophenyl)ethanol100-27-645 % similar

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

Same formula

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-4 N-Carbethoxyphthalimide22509-74-6 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-4 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-9 N-Phthaloyl-β-alanine3339-73-9 Pht-ala-oh4192-28-3 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid618383-47-4

Elsewhere

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