5-Chloro-2-nitrobenzaldehyde

C₇H₄ClNO₃CAS 6628-86-0185.56 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: 78.5–79.5 °C
logP: 2.06Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

6628-86-0

SMILES

O=Cc1cc(Cl)ccc1[N+](=O)[O-]

InChIKey

SWGPIDCNYAYXMJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

Benzaldehyde, 5-chloro-2-nitro-
2-Nitro-5-chlorobenzaldehyde
3-Chloro-6-nitrobenzaldehyde
NSC 59734

Work with 5-Chloro-2-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-Chloro-1,2-dinitrobenzene610-40-264 % similar 5-Bromo-2-nitrobenzaldehyde20357-20-462 % similar 5-Fluoro-2-nitrobenzaldehyde395-81-362 % similar 5-Hydroxy-2-nitrobenzaldehyde42454-06-862 % similar 2,4-Dichloronitrobenzene611-06-360 % similar 5-Chloro-2-nitroaniline1635-61-657 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-257 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-857 % 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-3-nitrobenzaldehyde16588-34-4 4-Chloro-2-nitrobenzaldehyde5551-11-1 2-Nitrobenzoyl chloride610-14-0 2-Chloro-5-nitrobenzaldehyde6361-21-3 2-Chloro-6-nitrobenzaldehyde6361-22-4

Elsewhere

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