2,4-Difluorocinnamic acid
Properties
- Molecular formula
- C9H6F2O2
- Molar mass
- 184.14 g/mol
- Exact mass
- 184.0336 Da
- logP
- 2.06Crippen 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 irritation97.8% 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
94977-52-3SMILES
C1=CC(=C(C=C1F)F)/C=C/C(=O)OInChIKey
PQDXPFJQTKGTFP-DUXPYHPUSA-NInChI
InChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4-Difluorocinnamic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-370 % similar
3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-870 % similar
(2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-370 % similar
2,4,5-Trifluorocinnamic acid247170-17-868 % similar
2-Chloro-4-fluorocinnamic acid133220-86-768 % similar
3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-468 % similar
2-Bromo-4-fluorocinnamic acid289038-17-168 % similar
3-(2-Fluorophenyl)-2-propenoic acid451-69-466 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds