chempirical

4-Bromobenzamide

C7H6BrNOCAS 698-67-9200.03 g/mol

Open in Covalent MOL file
H2NOBr
AmideAryl halide

Properties

Molecular formula
C7H6BrNO
Molar mass
200.03 g/mol
Exact mass
198.9633 Da
Melting point
190–193 °C
logP
1.55Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
698-67-9
SMILES
NC(=O)c1ccc(Br)cc1
InChIKey
ZRWNRAJCPNLYAK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c8-6-3-1-5(2-4-6)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, 4-bromo-
  • Benzamide, p-bromo-
  • p-Bromobenzoic acid amide
  • p-Bromobenzamide
  • NSC 404792

Work with 4-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

Terephthalamide3010-82-070 % similar 4-Hydroxybenzamide619-57-860 % similar 4,4′-Dibromobenzil35578-47-358 % similar 4,4′-Dibromobenzophenone3988-03-258 % similar 4-Aminobenzamide2835-68-956 % similar 4-Methylbenzamide619-55-654 % similar 4-Chlorobenzamide619-56-754 % similar 4-Fluorobenzamide824-75-954 % 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-Bromobenzaldoxime34158-72-0 2-Bromobenzamide4001-73-4

Elsewhere

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