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

C11H7NO5CAS 28123-73-1233.18 g/mol

Open in Covalent MOL file
OOHN+OO−O
Carboxylic acidNitro

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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
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

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

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-Phenylfuran-2-carboxylic acid52938-97-359 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-859 % similar 5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-659 % similar 4-Nitrobenzoic acid62-23-756 % similar 5-(4-Nitrophenyl)furfuryl alcohol33342-30-255 % similar 5-(4-Methoxyphenyl)-2-furoic acid52938-99-555 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-354 % 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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