1-(4-Bromo-3-nitrophenyl)ethanone

C₈H₆BrNO₃CAS 18640-58-9244.04 g/mol

Open in Covalent MOL file

Halogen Ketone Nitro Tertiary Amine

Properties

Molecular formula: C₈H₆BrNO₃
Molar mass: 244.04 g/mol
Exact mass: 242.9531 Da
Melting point: 116.5 °C
logP: 2.56Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

18640-58-9

SMILES

CC(=O)c1ccc(Br)c([N+](=O)[O-])c1

InChIKey

YFVOFFKNHQTQQE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Ethanone, 1-(4-bromo-3-nitrophenyl)-
Acetophenone, 4′-bromo-3′-nitro-
3′-Nitro-4′-bromoacetophenone
4′-Bromo-3′-nitroacetophenone
NSC 111656
1-(4-Bromo-3-nitrophenyl)ethan-1-one

Work with 1-(4-Bromo-3-nitrophenyl)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

3-Nitrophenacyl bromide2227-64-7 4-Nitrophenacyl bromide99-81-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook