chempirical

3-Bromo-4,5-diaminobenzotrifluoride

C7H6BrF3N2CAS 113170-72-2255.04 g/mol

Open in Covalent MOL file
H2NH2NBrFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H6BrF3N2
Molar mass
255.04 g/mol
Exact mass
253.9666 Da
logP
2.63Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
113170-72-2
SMILES
C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
InChIKey
OVGAPUVMLZWQQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2

Weigh it out

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

Work with 3-Bromo-4,5-diaminobenzotrifluoride

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-6-chloro-4-(trifluoromethyl)aniline109919-26-864 % similar 2-Bromo-5-trifluoromethylaniline454-79-559 % similar 2-Bromo-4-trifluoromethylaniline57946-63-159 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-158 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-154 % similar 2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine875664-27-047 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-845 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-044 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook