chempirical

3-Nitrobenzoyl bromide

C7H4BrNO3CAS 13277-62-8230.02 g/mol

Open in Covalent MOL file
N+OO−OBr
Acyl halideNitro

Properties

Molecular formula
C7H4BrNO3
Molar mass
230.02 g/mol
Exact mass
228.9375 Da
logP
2.13Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
13277-62-8
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Br
InChIKey
YPLWRVLXVBKSIU-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H

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Work with 3-Nitrobenzoyl 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

Similar compounds

3,3′-Dinitrobenzophenone21222-05-970 % similar 3-Nitrobenzoyl chloride121-90-464 % similar 3-Nitrobenzophenone2243-80-364 % similar 3-Nitrophenacyl bromide2227-64-763 % similar Sodium M-nitrobenzoate827-95-261 % similar 1-(3-Nitrophenyl)-1-propanone17408-16-159 % similar Methyl 3-nitrobenzoate618-95-159 % similar 2,2,2-Trifluoro-1-(3-nitrophenyl)ethanone657-15-859 % similar

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

Same formula

4-Bromo-3-nitrobenzaldehyde163596-75-6 5-Bromo-2-nitrobenzaldehyde20357-20-4 2-Bromo-6-nitrobenzaldehyde20357-21-5

Elsewhere

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