3-Nitrophenacyl bromide

C₈H₆BrNO₃CAS 2227-64-7244.04 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: 96 °C
logP: 2.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

2227-64-7

SMILES

O=C(CBr)c1cccc([N+](=O)[O-])c1

InChIKey

GZHPNIQBPGUSSX-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2

Weigh it out

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

Names and synonyms

16 names · show all

Ethanone, 2-bromo-1-(3-nitrophenyl)-
Acetophenone, 2-bromo-3′-nitro-
2-Bromo-1-(3-nitrophenyl)ethanone
α-Bromo-3′-nitroacetophenone
α-Bromo-m-nitroacetophenone
ω-Bromo-m-nitroacetophenone
m-Nitrophenacyl bromide
2-Bromo-m-nitroacetophenone
Bromomethyl m-nitrophenyl ketone
2-Bromo-3′-nitroacetophenone
α-Bromo-3-nitroacetophenone
NSC 69855
1-(3-Nitrophenyl)-2-bromoethanone
Bromomethyl 3-nitrophenyl ketone
1-Nitro-3-(bromoacetyl)benzene
2-Bromo-1-(3-nitrophenyl)ethan-1-one

Work with 3-Nitrophenacyl bromide

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

1-(4-Bromo-3-nitrophenyl)ethanone18640-58-9 4-Nitrophenacyl bromide99-81-0

Elsewhere

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