chempirical

3-Bromobenzamide

C7H6BrNOCAS 22726-00-7200.03 g/mol

Open in Covalent MOL file
H2NOBr
Aryl halide

Properties

Molecular formula
C7H6BrNO
Molar mass
200.03 g/mol
Exact mass
198.9633 Da
Melting point
155.3 °C
logP
2.33Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
22726-00-7
SMILES
N=C(O)c1cccc(Br)c1
InChIKey
ODJFDWIECLJWSR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Weigh it out

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

Names and synonyms

5 names
  • Benzamide, 3-bromo-
  • Benzamide, m-bromo-
  • m-Bromobenzamide
  • 3-Bromobenzenecarboxamide
  • NSC 81217

Work with 3-Bromobenzamide

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

1,3-Benzenedicarboxamide1740-57-472 % similar 3-Fluorobenzamide455-37-860 % similar 3-Chlorobenzamide618-48-460 % similar 3-Aminobenzamide3544-24-958 % similar 3-Methylbenzamide618-47-358 % similar Benzamide55-21-056 % similar 3-Bromobenzoic acid585-76-255 % similar 3-Carbamoylphenylboronic acid351422-73-655 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzaldoxime34158-72-0 2-Bromobenzamide4001-73-4 4-Bromobenzamide698-67-9

Elsewhere

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