UCSF

ZINC00167127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: (Trifluoromethoxy)benzene (Trifluoromethoxy)benzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 456-49-5 , 456-55-3 , [456-55-3]

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) 2.91 2.73 -2.67 0 1 0 9 162.11 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 102-104? Alfa-Aesar
Boiling_Point 102-104° Alfa-Aesar
BP 102° Matrix Scientific
BP 104 TCI
Purity 99% Matrix Scientific
Warnings Flammable/Corrosive Matrix Scientific
Warnings IRRITANT, FLAMMABLE, CORROSIVE Matrix Scientific

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

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