UCSF

ZINC02575078

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 2,3,4-Trifluorocinnamic acid 2,3,4-Trifluorocinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 207742-85-6 , [207742-85-6]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 3.23 -47.24 0 2 -1 40 201.123 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1049682A1; WO1999037630A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )