UCSF

ZINC00153623

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-(Trifluoromethoxy)toluene 4-(Trifluoromethoxy)toluene

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CAS Numbers: 706-27-4 , [706-27-4]

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) 3.36 3.06 -2.5 0 1 0 9 176.137 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 134-135? Alfa-Aesar
Boiling_Point 134-135° Alfa-Aesar
BP 134° Matrix Scientific
BP 135 TCI
mp 76 - 77 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
bp 96 - 97 (p=40 torr) MolMall (formerly Molecular Diversity Preservation International)
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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