UCSF

ZINC02390395

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 Yes

Popular Name: [3-(Trifluoromethyl)phenoxy]acetic acid [3-(Trifluoromethyl)phenoxy]acet…

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CAS Numbers: 349-82-6 , [349-82-6]

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) 2.11 3.06 -45.73 0 3 -1 49 219.138 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 85 - 87 Enamine Building Blocks
MP 85...87 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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