2-(Trifluoromethoxy)terephthalic acid
Properties
- Molecular formula
- C9H5F3O5
- Molar mass
- 250.13 g/mol
- Exact mass
- 250.0089 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
175278-21-4SMILES
C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)C(=O)OInChIKey
VVTIYBRREAGBBA-UHFFFAOYSA-NInChI
InChI=1S/C9H5F3O5/c10-9(11,12)17-6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-(Trifluoromethoxy)terephthalic acid
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds