UCSF

ZINC02560197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 3-Fluoro-4-(trifluoromethyl)phenylacetic acid 3-Fluoro-4-(trifluoromethyl)phen…

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CAS Numbers: 238754-67-1 , [238754-67-1]

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) 2.35 3.88 -42.01 0 2 -1 40 221.129 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 88-90? Alfa-Aesar
MP 88-90° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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