chempirical

3-Bromo-2,4,5-trifluorobenzoic acid

C7H2BrF3O2CAS 104222-42-6254.99 g/mol

Open in Covalent MOL file
FFBrFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H2BrF3O2
Molar mass
254.99 g/mol
Exact mass
253.9190 Da
logP
2.56Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
104222-42-6
SMILES
C1=C(C(=C(C(=C1F)F)Br)F)C(=O)O
InChIKey
VWVLSESGZBAPHA-UHFFFAOYSA-N
InChI
InChI=1S/C7H2BrF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)

Weigh it out

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

Work with 3-Bromo-2,4,5-trifluorobenzoic acid

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

2,3,4,5-Tetrafluorobenzoic acid1201-31-669 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-763 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-361 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-261 % similar 3-Amino-2,4,5-trifluorobenzoic acid119385-80-761 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-556 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-156 % similar 4-Bromo-2,5-difluorobenzoic acid28314-82-156 % similar

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

Elsewhere

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