2,4-Dinitrophenylacetic acid

C₈H₆N₂O₆CAS 643-43-6226.14 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₈H₆N₂O₆
Molar mass: 226.14 g/mol
Exact mass: 226.0226 Da
Melting point: 172 °C
logP: 1.13Crippen estimate
Polar surface area: 123.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

643-43-6

SMILES

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

InChIKey

KCNISYPADDTFDO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 2,4-dinitro-
Acetic acid, (2,4-dinitrophenyl)-
2,4-Dinitrobenzeneacetic acid
NSC 6225
2-(2,4-Dinitrophenyl)acetic acid

Work with 2,4-Dinitrophenylacetic acid

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-Nitrophenyl)acetic acid3740-52-167 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetic acid1735-91-766 % similar N-(2,4-Dinitrophenyl)glycine1084-76-061 % similar 3-Nitrophenylacetic acid1877-73-260 % similar 2,4-Dinitrobenzyl chloride610-57-157 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-556 % similar 2,4-Dinitrobenzoic acid610-30-055 % similar Dinitrophenyl-ε-aminocaproic acid10466-72-554 % similar

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

Same formula

4-Methyl-3,5-dinitrobenzoic acid16533-71-4 Methyl 3,5-dinitrobenzoate2702-58-1 2-Methyl-3,5-dinitrobenzoic acid28169-46-2

Elsewhere

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