chempirical

2-Bromobenzaldoxime

C7H6BrNOCAS 34158-72-0200.03 g/mol

Open in Covalent MOL file
HONBr
Aryl halideOxime

Properties

Molecular formula
C7H6BrNO
Molar mass
200.03 g/mol
Exact mass
198.9633 Da
Melting point
102.1–103.9 °C
logP
2.26Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
34158-72-0
SMILES
ON=Cc1ccccc1Br
InChIKey
PSIRFUPZHPEKAE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H

Weigh it out

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

Names and synonyms

3 names
  • Benzaldehyde, 2-bromo-, oxime
  • Benzaldehyde, o-bromo-, oxime
  • 2-Bromobenzaldehyde oxime

Work with 2-Bromobenzaldoxime

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

Salicylaldoxime94-67-757 % similar 2-Chlorobenzaldehyde oxime3717-28-055 % similar Benzaldehyde oxime932-90-148 % similar 2-Bromostyrene2039-88-546 % similar 2-Bromobenzaldehyde6630-33-746 % similar 2-Nitrobenzaldehyde oxime6635-41-246 % similar Pyridine 2-aldoxime873-69-841 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-140 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 3-Bromobenzamide22726-00-7 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzamide4001-73-4 4-Bromobenzamide698-67-9

Elsewhere

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