chempirical

2-Chloro-6-nitrobenzaldehyde

C7H4ClNO3CAS 6361-22-4185.56 g/mol

Open in Covalent MOL file
OClN+OO−
AldehydeAryl halideNitro

Properties

Molecular formula
C7H4ClNO3
Molar mass
185.56 g/mol
Exact mass
184.9880 Da
Melting point
71.5–72.5 °C
logP
2.06Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
6361-22-4
SMILES
O=Cc1c(Cl)cccc1[N+](=O)[O-]
InChIKey
RZDOUWDCYULHJX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H

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Names and synonyms

3 names
  • Benzaldehyde, 2-chloro-6-nitro-
  • 6-Chloro-2-nitrobenzaldehyde
  • 1-Chloro-2-formyl-3-nitrobenzene

Work with 2-Chloro-6-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

2-Bromo-6-nitrobenzaldehyde20357-21-566 % similar 2-Nitrochlorobenzene88-73-363 % similar 2,3-Dichloronitrobenzene3209-22-159 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-257 % similar 2,6-Dichlorobenzaldehyde83-38-557 % similar 2-Chloro-6-nitrophenol603-86-156 % similar 2-Chloro-6-nitrobenzenamine769-11-956 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-156 % 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 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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