4-Chloro-2-nitrobenzaldehyde

C₇H₄ClNO₃CAS 5551-11-1185.56 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: 67–68 °C
logP: 2.06Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

5551-11-1

SMILES

O=Cc1ccc(Cl)cc1[N+](=O)[O-]

InChIKey

MZPNQUMLOFWSEK-UHFFFAOYSA-N

InChI

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

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Names and synonyms

2 names

Benzaldehyde, 4-chloro-2-nitro-
2-Nitro-4-chlorobenzaldehyde

Work with 4-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-Fluoro-2-nitrobenzaldehyde2923-96-864 % similar 4-Chloro-1,2-dinitrobenzene610-40-264 % similar 4-Chloro-2-nitrophenol89-64-561 % similar 1,4-Dichloro-2-nitrobenzene89-61-260 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-757 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-057 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-657 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-657 % 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 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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