UCSF

ZINC00167206

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-(Trifluoromethoxy)benzyl alcohol 4-(Trifluoromethoxy)benzyl alcohol

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CAS Numbers: 1736-74-9 , [1736-74-9]

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) 2.25 0.17 -4.53 1 2 0 29 192.136 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-102?/12mm Alfa-Aesar
Boiling_Point 100-102°/12mm Alfa-Aesar
BP 108°/25mm Matrix Scientific
Purity 97% 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.