4-Bromo-3-fluorobenzaldehyde

C7H4BrFOCAS 133059-43-5203.01 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
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 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
133059-43-5
SMILES
C1=CC(=C(C=C1C=O)F)Br
InChIKey
SWHUROFMIMHWKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

Weigh it out

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Work with 4-Bromo-3-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 3,4-Dibromobenzaldehyde74003-55-764 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-656 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % similar 4-Bromo-3-hydroxybenzaldehyde20035-32-956 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-fluorobenzaldehyde188813-02-7 2-Bromo-6-fluorobenzaldehyde360575-28-6 4-Bromo-2-fluorobenzaldehyde57848-46-1 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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