3-Amino-2,5,6-trifluorobenzoic acid
Properties
- Molecular formula
- C7H4F3NO2
- Molar mass
- 191.11 g/mol
- Exact mass
- 191.0194 Da
- logP
- 1.38Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 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
133622-65-8SMILES
C1=C(C(=C(C(=C1F)F)C(=O)O)F)NInChIKey
FXEMCOVVTSYFRJ-UHFFFAOYSA-NInChI
InChI=1S/C7H4F3NO2/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,11H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-2,5,6-trifluorobenzoic acid
Similar compounds
2,3,5,6-Tetrafluorobenzoic acid652-18-676 % similar
3-Amino-2,6-difluorobenzoic acid83141-11-165 % similar
2-Amino-4,5-difluorobenzoic acid83506-93-861 % similar
2-Amino-4,6-difluorobenzoic acid126674-77-958 % similar
2,3,6-Trifluorobenzoic acid2358-29-458 % similar
2-Amino-6-fluorobenzoic acid434-76-456 % similar
2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-855 % similar
3,4,5-Trifluorobenzoic acid121602-93-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-Amino-2,4,5-trifluorobenzoic acid119385-80-7
5-(Trifluoromethyl)nicotinic acid131747-40-5
2-(Trifluoromethyl)isonicotinic acid131747-41-6
6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7
2-(Trifluoromethyl)nicotinic acid131747-43-8
4-(Trifluoromethyl)nicotinic acid158063-66-2
6-Trifluoromethylnicotinic acid231291-22-8
2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-5