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

C11H7NO5CAS 13130-13-7233.18 g/mol

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

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Phenylfuran-2-carboxylic acid52938-97-357 % similar 3-Nitrobenzoic acid121-92-657 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-156 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-055 % similar 5-Nitro-2-furoic acid645-12-555 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-353 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-850 % 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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