chempirical

4-Bromo-2-fluorobenzylamine hydrochloride

C7H8BrClFNCAS 147181-08-6240.50 g/mol

Open in Covalent MOL file
HClH2NBrF
Aryl halidePrimary amine

Properties

Molecular formula
C7H8BrClFN
Molar mass
240.50 g/mol
Exact mass
238.9513 Da
logP
2.47Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
147181-08-6
SMILES
Cl.NCc1ccc(Br)cc1F
InChIKey
RTQOFJWBJNVJEO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H

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

Names and synonyms

6 names
  • Benzenemethanamine, 4-bromo-2-fluoro-, hydrochloride (1:1)
  • Benzenemethanamine, 4-bromo-2-fluoro-, hydrochloride
  • (4-Bromo-2-fluorophenyl)methanaminium chloride
  • 1-(4-Bromo-2-fluorophenyl)methanamine hydrochloride
  • (4-Bromo-2-fluorophenyl)methanamine monohydrochloride
  • (4-Bromo-2-fluorophenyl)methanamine hydrochloride

Work with 4-Bromo-2-fluorobenzylamine hydrochloride

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

4-Bromo-2-fluorobenzenemethanamine112734-22-289 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-660 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-558 % similar 2,4-Difluorobenzylamine72235-52-055 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-551 % similar 4-Bromobenzylamine hydrochloride26177-44-648 % similar 1-Bromo-3,4-difluorobenzene348-61-848 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-648 % similar

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

Same formula

(5-Bromo-2-fluorobenzyl)amine hydrochloride202865-69-8

Elsewhere

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