UCSF

ZINC38529822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 13 Yes

Popular Name: 3-Methoxy-5-trifluoromethyl-phenol 3-Methoxy-5-trifluoromethyl-phenol

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CAS Numbers: 349-56-4 , [349-56-4]

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) 2.34 1.94 -4.83 1 2 0 29 192.136 2 ↓
Hi High (pH 8-9.5) 2.34 2.69 -38.16 0 2 -1 32 191.128 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 74-76? Alfa-Aesar
MP 74-76° Oakwood Chemical
Purity 97.3% Fluorochem

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

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