chempirical

4,5-Difluoro-2-iodobenzoic acid

C7H3F2IO2CAS 130137-05-2284.00 g/mol

Open in Covalent MOL file
FFIOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H3F2IO2
Molar mass
284.00 g/mol
Exact mass
283.9146 Da
logP
2.27Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
130137-05-2
SMILES
C1=C(C(=CC(=C1F)F)I)C(=O)O
InChIKey
NHXDCVFTXJVUGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)

Weigh it out

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

Work with 4,5-Difluoro-2-iodobenzoic 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

2,4,5-Trifluorobenzoic acid446-17-368 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-765 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-059 % similar 2,5-Difluoro-4-methylbenzoic acid103877-80-158 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-656 % similar 2-Fluoro-4-iodobenzoic acid124700-40-956 % similar 2-Fluoro-5-iodobenzoic acid124700-41-056 % similar 2,5-Diiodobenzoic acid14192-12-255 % similar

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

Elsewhere

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