chempirical

2-Chloro-5-nitrobenzaldehyde

C7H4ClNO3CAS 6361-21-3185.56 g/mol

Open in Covalent MOL file
ON+OO−Cl
AldehydeAryl halideNitro

Properties

Molecular formula
C7H4ClNO3
Molar mass
185.56 g/mol
Exact mass
184.9880 Da
Melting point
98 °C
logP
2.06Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
6361-21-3
SMILES
O=Cc1cc([N+](=O)[O-])ccc1Cl
InChIKey
VFVHWCKUHAEDMY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H

Weigh it out

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Names and synonyms

5 names
  • Benzaldehyde, 2-chloro-5-nitro-
  • 3-Nitro-6-chlorobenzaldehyde
  • 6-Chloro-3-nitrobenzaldehyde
  • 5-Nitro-2-chlorobenzaldehyde
  • NSC 129753

Work with 2-Chloro-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-nitrobenzene99-54-764 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-862 % similar 5-Nitrosalicylaldehyde97-51-862 % similar 2,4-Dinitrochlorobenzene97-00-760 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-459 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-957 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-457 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-257 % 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-6-nitrobenzaldehyde6361-22-4 5-Chloro-2-nitrobenzaldehyde6628-86-0

Elsewhere

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