chempirical

4-Amino-3-bromo-5-nitrobenzotrifluoride

C7H4BrF3N2O2CAS 113170-71-1285.02 g/mol

Open in Covalent MOL file
N+OO−H2NBrFFF
Alkyl halideAryl halideNitroPrimary amine

Properties

Molecular formula
C7H4BrF3N2O2
Molar mass
285.02 g/mol
Exact mass
283.9408 Da
logP
2.96Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
113170-71-1
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(F)(F)F
InChIKey
ZUZMWPRSGJTLHW-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2

Weigh it out

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

Work with 4-Amino-3-bromo-5-nitrobenzotrifluoride

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-Bromo-4-fluoro-6-nitroaniline10472-88-564 % similar 2-Bromo-4,6-dinitroaniline1817-73-862 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-759 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-859 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-855 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-955 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-155 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-655 % similar

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

Elsewhere

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