5-(3-Nitro-phenyl)-furan-2-carboxylic acid

C₁₁H₇NO₅CAS 13130-13-7233.18 g/mol

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Carboxylic acid Nitro

Properties

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

Identifiers

CAS number

13130-13-7

SMILES

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

InChIKey

XWQLGLUTQIKSAJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

5-(3-Nitrophenyl)-2-furoic acid

Work with 5-(3-Nitro-phenyl)-furan-2-carboxylic 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-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-760 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-156 % similar 5-Nitro-2-furoic acid645-12-555 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-353 % similar 2-Chloro-5-nitrobenzoic acid2516-96-347 % similar 2-Nitro-1,3-benzenedicarboxylic acid21161-11-547 % similar 2,5-Dinitrobenzoic acid610-28-646 % similar 2,4-Dinitrobenzoic acid610-30-046 % similar

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

Same formula

5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-1

Elsewhere

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