chempirical

3-Iodophthalic acid

C8H5IO4CAS 6937-34-4292.03 g/mol

Open in Covalent MOL file
IOOHOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H5IO4
Molar mass
292.03 g/mol
Exact mass
291.9233 Da
logP
1.69Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6937-34-4
SMILES
C1=CC(=C(C(=C1)I)C(=O)O)C(=O)O
InChIKey
HNPVERUJGFNNRV-UHFFFAOYSA-N
InChI
InChI=1S/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Work with 3-Iodophthalic 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

Hemimellitic acid569-51-770 % similar 2-Iodobenzoic acid88-67-569 % similar 2-Fluoro-6-iodobenzoic acid111771-08-564 % similar 2-Amino-3-iodobenzoic acid20776-55-064 % similar 3-Fluorophthalic acid1583-67-158 % similar 3-Aminophthalic acid5434-20-858 % similar Phthalic acid88-99-354 % similar 3-Aminophthalic acid hydrochloride6946-22-153 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook