UCSF

ZINC01556214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 Yes

Popular Name: 3-(Trifluoromethyl)anisole 3-(Trifluoromethyl)anisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 454-90-0 , [454-90-0]

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) 2.87 3.4 -4.22 0 1 0 9 176.137 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 159-160? Alfa-Aesar
Boiling_Point 159-160° Alfa-Aesar
BP 160° Matrix Scientific
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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