chempirical

2-Chloro-4-fluoro-5-nitrobenzaldehyde

C7H3ClFNO3CAS 99329-85-8203.55 g/mol

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

Properties

Molecular formula
C7H3ClFNO3
Molar mass
203.55 g/mol
Exact mass
202.9785 Da
logP
2.20Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
99329-85-8
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C=O
InChIKey
HNOIAPRHNXBCAE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFNO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-3H

Weigh it out

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Work with 2-Chloro-4-fluoro-5-nitrobenzaldehyde

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

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-869 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-162 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-360 % similar 2-Chloro-4,5-difluorobenzaldehyde165047-23-460 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-160 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-256 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-454 % similar 3-Fluoro-4-nitrobenzaldehyde160538-51-254 % similar

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

Elsewhere

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