4-Bromo-2-fluorobenzaldehyde

C7H4BrFOCAS 57848-46-1203.01 g/mol

Open in Covalent MOL file
OBrF
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
57848-46-1
SMILES
O=Cc1ccc(Br)cc1F
InChIKey
UPCARQPLANFGQJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H

Weigh it out

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Names and synonyms

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

Work with 4-Bromo-2-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

2-Fluoro-4-hydroxybenzaldehyde348-27-661 % similar 2,4-Difluorobenzaldehyde1550-35-260 % similar 5-Bromo-2,3-difluoro-benzaldehyde633327-22-759 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-358 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-058 % similar 4-Bromo-2,6-difluorobenzaldehyde537013-51-757 % similar 2-Fluoro-4-methylbenzaldehyde146137-80-656 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-fluorobenzaldehyde133059-43-5 3-Bromo-5-fluorobenzaldehyde188813-02-7 2-Bromo-6-fluorobenzaldehyde360575-28-6 2-Bromo-4-fluorobenzaldehyde59142-68-6 3-Bromo-4-fluorobenzaldehyde77771-02-9 2-Bromo-3-fluorobenzaldehyde891180-59-9 5-Bromo-2-fluorobenzaldehyde93777-26-5 2-Bromo-5-fluorobenzaldehyde94569-84-3

Elsewhere

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