chempirical

2-Bromo-6-chloro-4-(trifluoromethyl)aniline

C7H4BrClF3NCAS 109919-26-8274.47 g/mol

Open in Covalent MOL file
ClH2NBrFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H4BrClF3N
Molar mass
274.47 g/mol
Exact mass
272.9168 Da
logP
3.70Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
109919-26-8
SMILES
C1=C(C=C(C(=C1Cl)N)Br)C(F)(F)F
InChIKey
OVJCOPVKCCJSFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

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Work with 2-Bromo-6-chloro-4-(trifluoromethyl)aniline

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

2,6-Dichloro-4-trifluoromethylaniline24279-39-872 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-264 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-164 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-356 % similar 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-156 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-155 % similar 2-Bromo-4,6-dichloroaniline697-86-955 % similar

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

Elsewhere

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