chempirical

2-Bromobenzamide

C7H6BrNOCAS 4001-73-4200.03 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
160.5 °C
Boiling point
158–161 °C (at 12 Torr)
logP
2.33Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
4001-73-4
SMILES
N=C(O)c1ccccc1Br
InChIKey
NHNAEZDWNCRWRW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(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, 2-bromo-
  • Benzamide, o-bromo-
  • o-Bromobenzamide
  • NSC 10071
  • 2-Carbamoyl-1-bromobenzene

Work with 2-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

Phthalamide88-96-070 % similar Salicylamide65-45-257 % similar 2-Bromobenzoic acid88-65-357 % similar 2-Iodobenzamide3930-83-455 % similar 2-Fluorobenzamide445-28-355 % similar 2-Chlorobenzamide609-66-555 % similar Anthranilamide88-68-655 % similar Phthalamic acid88-97-155 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-4 3-Bromobenzamide22726-00-7 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzaldoxime34158-72-0 4-Bromobenzamide698-67-9

Elsewhere

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