5-Nitrobenzofuran-2-carboxylic acid

C₉H₅NO₅CAS 10242-12-3207.14 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₉H₅NO₅
Molar mass: 207.14 g/mol
Exact mass: 207.0168 Da
logP: 2.04Crippen estimate
Polar surface area: 93.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed95.1% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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)

Weigh it out

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

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

2-Acetyl-5-nitrobenzo[B]furan23136-39-267 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-859 % similar 5-Chloro-2-benzofurancarboxylic acid10242-10-156 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-256 % similar 4-Nitrophthalic acid610-27-555 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-154 % similar 2-Benzofurancarboxylic acid496-41-354 % similar 4,4'-Dinitrodiphenic acid20246-81-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxy-3-nitrocoumarin20261-31-8 4-Carboxylic-isatoic anhydride77423-14-4

Elsewhere

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