1-(3,5-Dinitrophenyl)ethanone

C₈H₆N₂O₅CAS 14401-75-3210.14 g/mol

Open in Covalent MOL file

Ketone Nitro Tertiary Amine

Properties

Molecular formula: C₈H₆N₂O₅
Molar mass: 210.14 g/mol
Exact mass: 210.0277 Da
Melting point: 74–76 °C
logP: 1.71Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

14401-75-3

SMILES

CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChIKey

WGJQPJOLPLYFJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3

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Names and synonyms

5 names

Ethanone, 1-(3,5-dinitrophenyl)-
Acetophenone, 3′,5′-dinitro-
3,5-Dinitroacetophenone
3′,5′-Dinitroacetophenone
NSC 87635

Work with 1-(3,5-Dinitrophenyl)ethanone

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

Same formula

2-[(4-Nitrophenyl)amino]-2-oxoacetic acid103-94-6

Elsewhere

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