chempirical

3-Bromo-5-fluorobenzaldehyde

C7H4BrFOCAS 188813-02-7203.01 g/mol

Open in Covalent MOL file
FBrO
AldehydeAryl halide

Properties

Molecular formula
C7H4BrFO
Molar mass
203.01 g/mol
Exact mass
201.9430 Da
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
188813-02-7
SMILES
C1=C(C=C(C=C1F)Br)C=O
InChIKey
MEFQRXHVMJPOKZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

Weigh it out

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

Work with 3-Bromo-5-fluorobenzaldehyde

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

5-Bromoisophthalaldehyde120173-41-368 % similar 3,5-Difluorobenzaldehyde32085-88-468 % similar 3,5-Dibromobenzaldehyde56990-02-468 % similar 1,3-Dibromo-5-fluorobenzene1435-51-456 % similar 1-Bromo-3,5-difluorobenzene461-96-156 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-055 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-555 % similar 4-Bromobenzaldehyde1122-91-450 % similar

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

Same formula

4-Bromo-3-fluorobenzaldehyde133059-43-5 4-Bromo-2-fluorobenzaldehyde57848-46-1 2-Bromo-4-fluorobenzaldehyde59142-68-6 3-Bromo-4-fluorobenzaldehyde77771-02-9 5-Bromo-2-fluorobenzaldehyde93777-26-5 2-Bromo-5-fluorobenzaldehyde94569-84-3

Elsewhere

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