UCSF

ZINC04265118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 12 Yes

Popular Name: 3-Fluoro-5-(trifluoromethyl)phenol 3-Fluoro-5-(trifluoromethyl)phenol

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CAS Number: 172333-87-8

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) 2.44 2.15 -3.63 1 1 0 20 180.1 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Matrix Scientific
Warnings CORROSIVE Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.