UCSF

ZINC16158996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 10 Yes

Popular Name: (3-Bromo-2-fluorophenyl)methanol (3-Bromo-2-fluorophenyl)methanol

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CAS Numbers: 1221715-80-5 , 261723-32-4 , [261723-32-4]

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) 2.15 2.64 -4.23 1 1 0 20 205.026 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-108?/4mm Alfa-Aesar
BP 104-108°/4mm Oakwood Chemical
BP 104-108°/4mmHg Matrix Scientific
MP 37-39° Matrix Scientific
Purity 95% Fluorochem
Purity >95% 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.