5-(3-Nitrophenyl)-2-furaldehyde

C₁₁H₇NO₄CAS 13148-43-1217.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₇NO₄
Molar mass: 217.18 g/mol
Exact mass: 217.0375 Da
logP: 2.67Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

13148-43-1

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=O

InChIKey

DXUACWQWQDJZMY-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H

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

Names and synonyms

1 names

5-(3-Nitrophenyl)furfural

Work with 5-(3-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

5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-757 % similar 5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-756 % similar 3-Nitrobenzaldehyde99-61-654 % similar 5-Nitrofurfural698-63-551 % similar 1,3-Dinitrobenzene99-65-049 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-645 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-343 % similar 1-Fluoro-3-nitrobenzene402-67-543 % similar

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

Same formula

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

Elsewhere

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