chempirical

4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

C7HBrF4OCAS 108574-98-7256.98 g/mol

Open in Covalent MOL file
OFFBrFF
AldehydeAryl halide

Properties

Molecular formula
C7HBrF4O
Molar mass
256.98 g/mol
Exact mass
255.9147 Da
logP
2.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
108574-98-7
SMILES
C(=O)C1=C(C(=C(C(=C1F)F)Br)F)F
InChIKey
ABQIERQXAUMNCS-UHFFFAOYSA-N
InChI
InChI=1S/C7HBrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h1H

Weigh it out

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

Work with 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde

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

Pentafluorobenzaldehyde653-37-270 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-653 % similar Bromopentafluorobenzene344-04-750 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-148 % similar 4,4′-Dibromooctafluorobiphenyl10386-84-245 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-145 % similar 2,3,6-Trifluorobenzaldehyde104451-70-943 % similar 1,2-Dibromotetrafluorobenzene827-08-743 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook