chempirical

5-Nitrobenzofuran-2-carboxylic acid

C9H5NO5CAS 10242-12-3207.14 g/mol

Open in Covalent MOL file
N+OO−OOOH
Carboxylic acidNitro

Properties

Molecular formula
C9H5NO5
Molar mass
207.14 g/mol
Exact mass
207.0168 Da
logP
2.04Crippen estimate
Polar surface area
93.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
10242-12-3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)C(=O)O
InChIKey
LZKWLHXJPIKJSJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H5NO5/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)

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Work with 5-Nitrobenzofuran-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

Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-859 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-154 % similar 5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-753 % similar 6-Nitrocoumarin2725-81-752 % similar 2,5-Dinitrobenzoic acid610-28-652 % similar 2,4-Dinitrobenzoic acid610-30-052 % similar 5-Nitro-2-furoic acid645-12-551 % similar 2-Amino-4-nitrobenzoic acid619-17-051 % similar

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

Elsewhere

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