chempirical

4-Bromo-2-fluorobenzenemethanamine

C7H7BrFNCAS 112734-22-2204.04 g/mol

Open in Covalent MOL file
H2NBrF
Aryl halidePrimary amine

Properties

Molecular formula
C7H7BrFN
Molar mass
204.04 g/mol
Exact mass
202.9746 Da
logP
2.05Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
112734-22-2
SMILES
NCc1ccc(Br)cc1F
InChIKey
RLTFBWCBGIZCDQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanamine, 4-bromo-2-fluoro-
  • 4-Bromo-2-fluorobenzylamine
  • 1-(4-Bromo-2-fluorophenyl)methanamine
  • [(4-Bromo-2-fluorophenyl)methyl]amine
  • (4-Bromo-2-fluorophenyl)methanamine

Work with 4-Bromo-2-fluorobenzenemethanamine

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-fluorobenzylamine hydrochloride147181-08-689 % similar (5-Bromo-2-fluorobenzyl)amine hydrochloride202865-69-866 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-563 % similar 2,4-Difluorobenzylamine72235-52-060 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-556 % similar 1-Bromo-3,4-difluorobenzene348-61-854 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar 4-Bromo-2-fluoroaniline367-24-852 % similar

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

Same formula

2-Bromo-4-fluoro-6-methylbenzenamine202865-77-8 2-Bromo-5-fluorobenzenemethanamine747392-34-3

Elsewhere

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