UCSF

ZINC00155138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Number: 179897-89-3

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) 2.59 2.51 -5.28 0 1 0 24 200.01 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 74-77° Matrix Scientific
MP 76-81° Matrix Scientific
MP 77 - 79 Enamine Building Blocks
Melting_Point 77-81? Alfa-Aesar
Melting_Point 77-81° Alfa-Aesar
MP 77...79 Enamine Building Blocks
MP 78 - 80 Enamine Building Blocks
MP 80 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% 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.