UCSF

ZINC00403508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 2-Bromo-5-fluorobenzonitrile 2-Bromo-5-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57381-39-2 , [57381-39-2]

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) 2.59 2.49 -4.82 0 1 0 24 200.01 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 88-92? Alfa-Aesar
Melting_Point 88-92° Alfa-Aesar
MP 89 - 91 Enamine Building Blocks
MP 89-91° Matrix Scientific
MP 89...91 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 TCI
purity 95 Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

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

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