UCSF

ZINC02545261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 3-BROMO-2-FLUOROBENZOTRIFLUORIDE 3-BROMO-2-FLUOROBENZOTRIFLUORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 144584-67-8 , [144584-67-8]

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) 3.71 6.16 -5.23 0 0 0 0 242.997 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 168-169? Alfa-Aesar
Boiling_Point 168-169° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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