2-hydroxyethyl 5-hydroxy-2-{[3-(trifluoromethyl)phenyl]amino}benzoate
AlkaPlorer ID: AK260979
Synonym: None
IUPAC Name: 2-hydroxyethyl 5-hydroxy-2-[3-(trifluoromethyl)anilino]benzoate
Structure
SMILES: O=C(OCCO)C1=CC(O)=CC=C1NC1=CC=CC(C(F)(F)F)=C1
InChI: InChI=1S/C16H14F3NO4/c17-16(18,19)10-2-1-3-11(8-10)20-14-5-4-12(22)9-13(14)15(23)24-7-6-21/h1-5,8-9,20-22H,6-7H2
InChIKey: DVOOQWRUTZUUNT-UHFFFAOYSA-N
Reference
A quinic acid ester from Strychnos lucida
PubChem CID: 158039
CAS: 82131-93-9
COCONUT: CNP0383236
Source
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Properties Information
Molecule Weight: 341.285
TPSA？: 78.79
MolLogP？: 3.303700000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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