3-(3,4,5-Trifluorophenyl)-2-propenoic 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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 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
152152-19-7SMILES
O=C(O)C=Cc1cc(F)c(F)c(F)c1InChIKey
PHIWFMZBVZFEQJ-UHFFFAOYSA-NInChI
InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2-Propenoic acid, 3-(3,4,5-trifluorophenyl)-
- 3,4,5-Trifluorocinnamic acid
- 3-(3,4,5-Trifluorophenyl)acrylic acid
Work with 3-(3,4,5-Trifluorophenyl)-2-propenoic acid
Similar compounds
3,5-Difluorocinnamic acid147700-58-169 % similar
3,5-Difluorocinnamic acid84315-23-169 % similar
trans-3,4-Difluorocinnamic acid112897-97-968 % similar
(2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-660 % similar
3-(3-Fluorophenyl)-2-propenoic acid458-46-860 % similar
trans-4-Fluorocinnamic acid14290-86-959 % similar
3-(4-Fluorophenyl)-2-propenoic acid459-32-559 % similar
trans-2,5-Difluorocinnamic acid112898-33-657 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.