chempirical

3-Bromobenzoyl chloride

C7H4BrClOCAS 1711-09-7219.46 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAryl halide

Properties

Molecular formula
C7H4BrClO
Molar mass
219.46 g/mol
Exact mass
217.9134 Da
Melting point
139.5–141.3 °C
Boiling point
84.5–86.5 °C (at 3 Torr)
logP
2.83Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1711-09-7
SMILES
O=C(Cl)c1cccc(Br)c1
InChIKey
PBOOZQFGWNZNQE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H

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Names and synonyms

4 names
  • Benzoyl chloride, 3-bromo-
  • Benzoyl chloride, m-bromo-
  • m-Bromobenzoyl chloride
  • NSC 100315

Work with 3-Bromobenzoyl chloride

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

Isophthaloyl chloride99-63-872 % similar 3-Chlorobenzoyl chloride618-46-262 % similar 3-Fluorobenzoyl chloride1711-07-560 % similar 3-Methylbenzoyl chloride1711-06-458 % similar 3-Iodobenzoyl chloride1711-10-058 % similar Benzoyl chloride98-88-456 % similar 3-Bromobenzophenone1016-77-955 % similar 3-Bromobenzoic acid585-76-255 % similar

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

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 4-Bromobenzoyl chloride586-75-4 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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