4,4'-Dinitrodiphenic acid

C₁₄H₈N₂O₈CAS 20246-81-5332.22 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₁₄H₈N₂O₈
Molar mass: 332.22 g/mol
Exact mass: 332.0281 Da
logP: 2.57Crippen estimate
Polar surface area: 160.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5

Identifiers

CAS number

20246-81-5

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChIKey

CDYUHLLQUAYYHD-UHFFFAOYSA-N

InChI

InChI=1S/C14H8N2O8/c17-13(18)11-5-7(15(21)22)1-3-9(11)10-4-2-8(16(23)24)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)

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Names and synonyms

1 names

(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro-

Work with 4,4'-Dinitrodiphenic 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

2,5-Dinitrobenzoic acid610-28-674 % similar 5-Nitrosalicylic acid96-97-972 % similar 2-Methyl-5-nitrobenzoic acid1975-52-670 % similar 2-Chloro-5-nitrobenzoic acid2516-96-370 % similar 2-Amino-5-nitrobenzoic acid616-79-570 % similar 2-Bromo-5-nitrobenzoic acid943-14-670 % similar 2,4-Dinitrobenzoic acid610-30-069 % similar 2,7-Dinitro-9-fluorenone31551-45-868 % similar

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

Same formula

Bis(4-nitrophenyl)peroxyanhydride1712-84-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook