chempirical

4-Iodo-3-nitrobenzoic acid

C7H4INO4CAS 35674-27-2293.02 g/mol

Open in Covalent MOL file
OOHN+OO−I
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C7H4INO4
Molar mass
293.02 g/mol
Exact mass
292.9185 Da
logP
1.90Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
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
35674-27-2
SMILES
C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])I
InChIKey
DNMTZLCNLAIKQC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

Weigh it out

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

Work with 4-Iodo-3-nitrobenzoic 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

3,4-Dinitrobenzoic acid528-45-072 % similar 4-Methyl-3-nitrobenzoic acid96-98-069 % similar Nitroterephthalic acid610-29-768 % similar Iniparib160003-66-768 % similar 4-Hydroxy-3-nitrobenzoic acid616-82-067 % similar 4-Bromo-3-nitrobenzoic acid6319-40-067 % similar 4-Chloro-3-nitrobenzoic acid96-99-167 % similar 3-Bromo-4-nitrobenzoic acid101420-81-965 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook