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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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′-Nitroacetophenone121-89-164 % similar 3-Nitrobenzoyl chloride121-90-464 % similar 3-Nitrobenzoic acid121-92-664 % similar 3-Nitrobenzophenone2243-80-364 % similar 3-Nitrophenacyl bromide2227-64-763 % similar 3,4'-Dinitrobenzophenone1469-74-562 % similar Sodium m-nitrobenzoate827-95-261 % 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 3-Bromo-5-nitrobenzaldehyde355134-13-3 4-Bromo-2-nitrobenzaldehyde5551-12-2

Elsewhere

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