2-Bromo-3,4,6-trifluoroaniline

C₆H₃BrF₃NCAS 1481-21-6226.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₃BrF₃N
Molar mass: 226.00 g/mol
Exact mass: 224.9401 Da
logP: 2.45Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1481-21-6

SMILES

C1=C(C(=C(C(=C1F)F)Br)N)F

InChIKey

MRXOTDULAFLMDA-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrF3N/c7-4-5(10)2(8)1-3(9)6(4)11/h1H,11H2

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

Names and synonyms

1 names

2,4,5-Trifluoro-6-bromoaniline

Work with 2-Bromo-3,4,6-trifluoroaniline

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

3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-267 % similar 2,3,4,6-Tetrafluorobenzenamine363-73-562 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-460 % similar 2-Bromo-3,4-difluoroaniline1092349-87-548 % similar Pentafluorobenzene363-72-444 % similar 2,4-Dibromo-6-fluoroaniline141474-37-544 % similar 2-Bromo-4,6-difluorobenzenamine444-14-444 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-844 % similar

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

Same formula

6-Bromo-2,3,4-trifluorobenzenamine122375-82-0 2-Bromo-4-(trifluoromethyl)pyridine175205-81-9 3-Bromo-5-(trifluoromethyl)pyridine436799-33-6

Elsewhere

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