UCSF

ZINC02584342

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Substance Information

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

Popular Name: 5-Bromo-2-fluorobenzotrifluoride 5-Bromo-2-fluorobenzotrifluoride

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CAS Number: 393-37-3

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) 3.73 6.16 -3.11 0 0 0 0 242.997 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 147 TCI
Boiling_Point 79-80?/50mm Alfa-Aesar
BP 79-80°/50mm Oakwood Chemical
BP 80°/50mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.