5-(4-Nitrophenyl)-2-furancarboxylic acid

C₁₁H₇NO₅CAS 28123-73-1233.18 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₁₁H₇NO₅
Molar mass: 233.18 g/mol
Exact mass: 233.0324 Da
Melting point: 246–247 °C
logP: 2.55Crippen estimate
Polar surface area: 93.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

28123-73-1

SMILES

O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

InChIKey

FXZTYDPWMQBTDH-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)

Weigh it out

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Names and synonyms

5 names

2-Furancarboxylic acid, 5-(4-nitrophenyl)-
2-Furoic acid, 5-(p-nitrophenyl)-
5-(p-Nitrophenyl)-2-furancarboxylic acid
5-(p-Nitrophenyl)-2-furoic acid
5-(4-Nitrophenyl)-2-furoic acid

Work with 5-(4-Nitrophenyl)-2-furancarboxylic acid

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-Nitro-2-furoic acid645-12-560 % similar 5-(4-Methoxyphenyl)-2-furancarboxylic acid52938-99-555 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-354 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-552 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-748 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-147 % similar 2,5-Furandicarboxylic acid3238-40-247 % similar 2,5-Dinitrobenzoic acid610-28-647 % similar

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

Same formula

5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-7

Elsewhere

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