2,4,5-Trifluorocinnamic acid
Properties
- Molecular formula
- C9H5F3O2
- Molar mass
- 202.13 g/mol
- Exact mass
- 202.0242 Da
- logP
- 2.20Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
247170-17-8SMILES
C1=C(C(=CC(=C1F)F)F)/C=C/C(=O)OInChIKey
KFVQEUPEGKJFCW-OWOJBTEDSA-NInChI
InChI=1S/C9H5F3O2/c10-6-4-8(12)7(11)3-5(6)1-2-9(13)14/h1-4H,(H,13,14)/b2-1+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4,5-Trifluorocinnamic acid
Similar compounds
trans-2,5-Difluorocinnamic acid112898-33-668 % similar
2,4-Difluorocinnamic acid774-73-268 % similar
2,4-Difluorocinnamic acid94977-52-368 % similar
3-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-362 % similar
3-(5-Bromo-2-fluorophenyl)-2-propenoic acid202865-71-262 % similar
3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-862 % similar
(2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-362 % similar
3-(2-Fluorophenyl)-2-propenoic acid451-69-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.