4-Chloro-3-nitrobenzaldehyde

C₇H₄ClNO₃CAS 16588-34-4185.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitro

Properties

Molecular formula: C₇H₄ClNO₃
Molar mass: 185.56 g/mol
Exact mass: 184.9880 Da
Melting point: 65 °C
logP: 2.06Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

16588-34-4

SMILES

O=Cc1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

HETBKLHJEWXWBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H

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

Names and synonyms

4 names

Benzaldehyde, 4-chloro-3-nitro-
3-Nitro-4-chlorobenzaldehyde
2-Chloro-5-formylnitrobenzene
NSC 68097

Work with 4-Chloro-3-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

4-Bromo-3-nitrobenzaldehyde163596-75-662 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-562 % similar 4-Methyl-3-nitrobenzaldehyde31680-07-662 % similar 1,4-Dichloro-2-nitrobenzene89-61-260 % similar 2,4-Dinitrochlorobenzene97-00-760 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-259 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-558 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-757 % similar

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

Same formula

3-Nitrobenzoyl chloride121-90-4 4-Nitrobenzoyl chloride122-04-3 4-Chloro-2-nitrobenzaldehyde5551-11-1 2-Nitrobenzoyl chloride610-14-0 2-Chloro-5-nitrobenzaldehyde6361-21-3 2-Chloro-6-nitrobenzaldehyde6361-22-4 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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