chempirical

1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone

C8H6BrCl2NOCAS 37148-47-3282.95 g/mol

Open in Covalent MOL file
H2NClOBrCl
Alkyl halideAryl halideKetonePrimary amine

Properties

Molecular formula
C8H6BrCl2NO
Molar mass
282.95 g/mol
Exact mass
280.9010 Da
Melting point
140–142 °C
logP
3.15Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
37148-47-3
SMILES
Nc1c(Cl)cc(C(=O)CBr)cc1Cl
InChIKey
ATKJJUFAWYSFID-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2

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Names and synonyms

6 names
  • Ethanone, 1-(4-amino-3,5-dichlorophenyl)-2-bromo-
  • 4-Amino-ω-bromo-3,5-dichloroacetophenone
  • 4-Amino-3,5-dichlorophenacyl bromide
  • 4-Amino-α-bromo-3,5-dichloroacetophenone
  • 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethan-1-one
  • 1-(4-Amino-3,5-dichlorophenyl)-2-bromo-1-ethanone

Work with 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone

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

1-(4-Amino-3,5-dichlorophenyl)ethanone37148-48-451 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-251 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-850 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-249 % similar 2′-Bromo-4-chloroacetophenone536-38-949 % similar 2,4-Dichlorophenacyl bromide2631-72-346 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-946 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-245 % similar

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

Elsewhere

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