5-(2-Chloro-4-nitro-phenyl)-furan-2-carbaldehyde

C11H6ClNO4CAS 327049-94-5251.62 g/mol

Open in Covalent MOL file
N+OO−ClOO
AldehydeAryl halideNitro

Properties

Molecular formula
C11H6ClNO4
Molar mass
251.62 g/mol
Exact mass
250.9985 Da
logP
3.32Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
327049-94-5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C=O
InChIKey
YLWXKADRQFEWGM-UHFFFAOYSA-N
InChI
InChI=1S/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H

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Names and synonyms

1 names
  • 5-(2-Chloro-4-nitrophenyl)furan-2-carbaldehyde

Work with 5-(2-Chloro-4-nitro-phenyl)-furan-2-carbaldehyde

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-Nitrophenyl)-2-furaldehyde13148-43-164 % similar 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-563 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-657 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-355 % similar 5-(2-Nitrophenyl)-2-furaldehyde20000-96-854 % similar 1,2-Dichloro-4-nitrobenzene99-54-751 % similar 5-Nitrofurfural698-63-549 % similar 2-Chloro-4-nitrotoluene121-86-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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