chempirical

2-Iodo-3-methylbenzoic acid

C8H7IO2CAS 108078-14-4262.05 g/mol

Open in Covalent MOL file
OHOI
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7IO2
Molar mass
262.05 g/mol
Exact mass
261.9491 Da
logP
2.30Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
108078-14-4
SMILES
CC1=C(C(=CC=C1)C(=O)O)I
InChIKey
PZUXUOZSSYKAMX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Iodo-3-methylbenzoic 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-Dimethylbenzoic acid603-79-266 % similar 3-Methylsalicylic acid83-40-964 % similar 2,2′-Dithiobis(3-methylbenzoic acid)13363-59-262 % similar 2-Amino-3-methylbenzoic acid4389-45-162 % similar 2,6-Dimethylbenzoic acid632-46-258 % similar 3-Methyl-2-nitrobenzoic acid5437-38-754 % similar Mefenamic acid61-68-753 % similar Phthalic acid88-99-352 % similar

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

Same formula

4-Iodophenylacetic acid1798-06-7 3-Iodo-4-methoxybenzaldehyde2314-37-6 2-Iodo-5-methylbenzoic acid52548-14-8 5-Iodo-2-methylbenzoic acid54811-38-0 Methyl 2-iodobenzoate610-97-9 Methyl 3-iodobenzoate618-91-7 Methyl 4-iodobenzoate619-44-3 3-Iodo-4-methylbenzoic acid82998-57-0

Elsewhere

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