3-(Bromomethyl)-5-chlorobenzo[B]thiophene

C₉H₆BrClSCAS 1198-51-2261.56 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₉H₆BrClS
Molar mass: 261.56 g/mol
Exact mass: 259.9062 Da
logP: 4.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1198-51-2

SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CBr

InChIKey

FKQSFVITUNJLCY-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2

Weigh it out

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

Names and synonyms

1 names

3-(Bromomethyl)-5-chloro-1-benzothiophene

Work with 3-(Bromomethyl)-5-chlorobenzo[B]thiophene

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

5-Chlorobenzo[B]thiophene-3-acetonitrile23799-60-261 % similar 5-Chlorobenzo[B]thiophene-3-acetic acid17266-30-756 % similar 5-Chloro-3-methylbenzo[B]thiophene19404-18-353 % similar 2,4-Dichlorobenzyl bromide20443-99-649 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-046 % similar 2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene261763-24-043 % similar 3-Chlorobenzyl bromide766-80-339 % similar 4-Chlorobenzyl bromide622-95-738 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook