5-(2-Nitrophenyl)-2-furaldehyde

C11H7NO4CAS 20000-96-8217.18 g/mol

Open in Covalent MOL file
OON+OO−
AldehydeNitro

Properties

Molecular formula
C11H7NO4
Molar mass
217.18 g/mol
Exact mass
217.0375 Da
logP
2.67Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
20000-96-8
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C=O)[N+](=O)[O-]
InChIKey
QBYRUURYXPVDAK-UHFFFAOYSA-N
InChI
InChI=1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H

Weigh it out

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Work with 5-(2-Nitrophenyl)-2-furaldehyde

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

2,2′-Dinitrobiphenyl2436-96-656 % similar 5-Nitrofurfural698-63-555 % similar 5-(2-Chloro-4-nitro-phenyl)-furan-2-carbaldehyde327049-94-554 % similar 2-Nitrobenzaldehyde552-89-653 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-653 % similar 5-Phenyl-2-furaldehyde13803-39-950 % similar 2-Nitrobiphenyl86-00-050 % similar 5-[2-(Trifluoromethyl)phenyl]furfural94098-56-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Nitrophenyl)-2-furaldehyde13148-43-1 N-(4-Carboxyphenyl)maleimide17057-04-4 3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid17057-07-7 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-9 2,3-Quinolinedicarboxylic acid643-38-9 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-5

Elsewhere

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