3-(3,5-Difluorophenyl)propionic acid
Properties
- Molecular formula
- C9H8F2O2
- Molar mass
- 186.16 g/mol
- Exact mass
- 186.0492 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
84315-24-2SMILES
C1=C(C=C(C=C1F)F)CCC(=O)OInChIKey
SAAKANGUQMVTHQ-UHFFFAOYSA-NInChI
InChI=1S/C9H8F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(3,5-Difluorophenyl)propionic acid
Similar compounds
3-(3-Fluorophenyl)propionic acid458-45-772 % similar
3-(4-Fluorophenyl)propionic acid459-31-470 % similar
3,5-Difluorophenylacetic acid105184-38-167 % similar
1,4-Benzenedipropanoic acid4251-21-261 % similar
4-(4-Fluorophenyl)butanoic acid589-06-056 % similar
Phenylpropanoic acid501-52-055 % similar
4-Fluorobenzenepentanoic acid24484-22-854 % similar
3,5-Dimethoxyphenylpropionic acid717-94-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.