chempirical

3-Bromo-4-fluorobenzaldehyde

C7H4BrFOCAS 77771-02-9203.01 g/mol

Open in Covalent MOL file
OFBr
AldehydeAryl halide

Properties

Molecular formula
C7H4BrFO
Molar mass
203.01 g/mol
Exact mass
201.9430 Da
Melting point
30–32 °C
Boiling point
85–108 °C (at 8 Torr)
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
77771-02-9
SMILES
O=Cc1ccc(F)c(Br)c1
InChIKey
FAHZIKXYYRGSHF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

Weigh it out

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Names and synonyms

2 names
  • Benzaldehyde, 3-bromo-4-fluoro-
  • 4-Fluoro-3-bromobenzaldehyde

Work with 3-Bromo-4-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

3,4-Difluorobenzaldehyde34036-07-264 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-656 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-556 % similar 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-053 % similar 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid160434-49-153 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-652 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-252 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-652 % similar

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

Same formula

4-Bromo-2-fluorobenzaldehyde57848-46-1 2-Bromo-4-fluorobenzaldehyde59142-68-6 5-Bromo-2-fluorobenzaldehyde93777-26-5 2-Bromo-5-fluorobenzaldehyde94569-84-3

Elsewhere

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