Methyl 2-chloro-4-nitrobenzoate

C₈H₆ClNO₄CAS 13324-11-3215.59 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro

Properties

Molecular formula: C₈H₆ClNO₄
Molar mass: 215.59 g/mol
Exact mass: 214.9985 Da
Melting point: 75.5–76.7 °C
logP: 2.03Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

13324-11-3

SMILES

COC(=O)c1ccc([N+](=O)[O-])cc1Cl

InChIKey

PICNSXCJRMYANX-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 2-chloro-4-nitro-, methyl ester
2-Chloro-4-nitrobenzoic acid methyl ester
4-Nitro-2-chlorobenzoic acid methyl ester

Work with Methyl 2-chloro-4-nitrobenzoate

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

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 2-bromo-4-nitrobenzoate100959-22-667 % similar Methyl 5-nitrosalicylate17302-46-464 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-764 % similar 2-Chloro-4-nitrobenzoyl chloride7073-36-162 % similar Methyl 3-nitrobenzoate618-95-160 % similar 2-Chloro-4-nitrobenzoic acid99-60-560 % similar Methyl 2,4-dichlorobenzoate35112-28-859 % similar

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

Same formula

2-Nitro-4-chlorobenzoic acid methyl ester42087-80-9 4-Nitrobenzyl chloroformate4457-32-3 Methyl 5-chloro-2-nitrobenzoate51282-49-6 Methyl 2-chloro-5-nitrobenzoate6307-82-0 2-Hydroxy-5-chloro-3-nitroacetophenone84942-40-5

Elsewhere

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