3-Iodophenylacetic acid
Properties
- Molecular formula
- C8H7IO2
- Molar mass
- 262.05 g/mol
- Exact mass
- 261.9491 Da
- logP
- 1.92Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1878-69-9SMILES
C1=CC(=CC(=C1)I)CC(=O)OInChIKey
MRSWWBAFGGGWRH-UHFFFAOYSA-NInChI
InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Iodophenylacetic acid
Similar compounds
1,3-Benzenediacetic acid19806-17-872 % similar
(3-Chlorophenyl)acetic acid1878-65-562 % similar
3-Fluorophenylacetic acid331-25-962 % similar
3′-Hydroxyphenylacetic acid621-37-462 % similar
(3-Aminophenyl)acetic acid14338-36-460 % similar
3-Bromophenylacetic acid1878-67-760 % similar
(3-Methylphenyl)acetic acid621-36-360 % similar
Phenylacetic acid103-82-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds